N-(4-methylcyclohexyl)-4-[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-4-[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-4-[(3S)-3-(morpholine-4-carbonyl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-4-[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[(3S)-3-(morpholine-4-carbonyl)piperidino]-3-nitro-benzenesulfonamide Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@@H](C3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H34N4O6S/c1-17-4-6-19(7-5-17)24-34(31,32)20-8-9-21(22(15-20)27(29)30)26-10-2-3-18(16-26)23(28)25-11-13-33-14-12-25/h8-9,15,17-19,24H,2-7,10-14,16H2,1H3/t17?,18-,19?/m0/s1