ZINC00914978,ASN 04194472,IUPAC Name: 4-acetyl-N-[(6,,7-dimethyl-2-oxo

[Synonyms]
ZINC00914978
ASN 04194472

[Structure]

[ Properties Computed from Structure]

Molecular Weight	428.50136 [g/mol]
Molecular Formula	C22H24N2O5S
XLogP	2
H-Bond Donor	2
H-Bond Acceptor	6
Rotatable Bond Count	7
Tautomer Count	4
Exact Mass	428.140593
MonoIsotopic Mass	428.140593
Topological Polar Surface Area	104
Heavy Atom Count	30
Formal Charge	0
Complexity	780
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 4-acetyl-N-[(6,
7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)
benzenesulfonamide
Canonical SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)C
InChI: InChI=1/C22H24N2O5S/c1-14-10-18-12-19(22(27)23-21(18)11-15(14)2)13-24(8-
9-25)30(28,29)20-6-4-17(5-7-20)16(3)26/h4-7,10-12,25H,8-9,13H2,1-3H3,(H,
23,27)/f/h23H