6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-homoveratryl-4-keto-1H-quinoline-3-carboxamide Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C26H31N3O6S/c1-34-23-10-7-18(15-24(23)35-2)11-12-27-26(31)21-17-28-22-9-8-19(16-20(22)25(21)30)36(32,33)29-13-5-3-4-6-14-29/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,27,31)(H,28,30)