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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-1-methyl-quinoline-3-carboxamide Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)C)OCC

InChI

InChI=1S/C29H37N3O6S/c1-4-37-26-13-10-21(18-27(26)38-5-2)14-15-30-29(34)24-20-31(3)25-12-11-22(19-23(25)28(24)33)39(35,36)32-16-8-6-7-9-17-32/h10-13,18-20H,4-9,14-17H2,1-3H3,(H,30,34)