3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-ethylphenyl)-1-methyl-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-ethylphenyl)-1-methyl-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-ethylphenyl)-1-methyl-2,4-dioxo-quinazoline-6-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-N-(3-ethylphenyl)-1-methyl-2,4-dioxo-6-quinazolinesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-ethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-ethylphenyl)-2,4-diketo-1-methyl-quinazoline-6-sulfonamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N(C3=O)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H30N4O5S/c1-3-18-9-8-10-19(15-18)26-35(33,34)20-11-12-22-21(16-20)24(31)29(25(32)27(22)2)17-23(30)28-13-6-4-5-7-14-28/h8-12,15-16,26H,3-7,13-14,17H2,1-2H3