3-cyclopentyl-2-(1-methylsulfonyl-5-nitro-cyclohexa-2,4-dien-1-yl)-N-quinolin-2-yl-propanamide

Systemtic Name: 3-cyclopentyl-2-(1-methylsulfonyl-5-nitro-cyclohexa-2,4-dien-1-yl)-N-quinolin-2-yl-propanamide Openeye Name: 3-cyclopentyl-2-(1-methylsulfonyl-5-nitro-cyclohexa-2,4-dien-1-yl)-N-(2-quinolyl)propanamide CAS Name: 3-cyclopentyl-2-(1-methylsulfonyl-5-nitro-1-cyclohexa-2,4-dienyl)-N-(2-quinolinyl)propanamide IUPAC Name: 3-cyclopentyl-2-(1-methylsulfonyl-5-nitrocyclohexa-2,4-dien-1-yl)-N-quinolin-2-ylpropanamide Traditional Name: 3-cyclopentyl-2-(1-mesyl-5-nitro-cyclohexa-2,4-dien-1-yl)-N-(2-quinolyl)propionamide Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(CC(=CC=C1)[N+](=O)[O-])C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)C1(CC(=CC=C1)[N+](=O)[O-])C(CC2CCCC2)C(=O)NC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O5S/c1-33(31,32)24(14-6-10-19(16-24)27(29)30)20(15-17-7-2-3-8-17)23(28)26-22-13-12-18-9-4-5-11-21(18)25-22/h4-6,9-14,17,20H,2-3,7-8,15-16H2,1H3,(H,25,26,28)