6-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-(2-methylcyclohexyl)-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-keto-N-(2-methylcyclohexyl)quinoline-3-carboxamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C

InChI

InChI=1S/C26H35N3O4S/c1-3-14-28-18-22(26(31)27-23-11-7-6-10-19(23)2)25(30)21-17-20(12-13-24(21)28)34(32,33)29-15-8-4-5-9-16-29/h3,12-13,17-19,23H,1,4-11,14-16H2,2H3,(H,27,31)