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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-N-cyclohexyl-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-cyclohexyl-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-cyclohexyl-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-N-cyclohexyl-4-keto-quinoline-3-carboxamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NC4CCCCC4

Isomeric SMILES

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-2-14-27-18-22(25(30)26-19-10-6-5-7-11-19)24(29)21-17-20(12-13-23(21)27)33(31,32)28-15-8-3-4-9-16-28/h2,12-13,17-19H,1,3-11,14-16H2,(H,26,30)