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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-1-ethyl-N-homoveratryl-4-keto-quinoline-3-carboxamide Formula: C28H35N3O6S MolecularWeight: 541.659

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H35N3O6S/c1-4-30-19-23(28(33)29-14-13-20-9-12-25(36-2)26(17-20)37-3)27(32)22-18-21(10-11-24(22)30)38(34,35)31-15-7-5-6-8-16-31/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,29,33)