4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[(3R)-3-(hydroxymethyl)-1-piperidyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(3R)-3-(hydroxymethyl)-1-piperidinyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-4-[(3R)-3-methylolpiperidino]-3-nitro-benzenesulfonamide Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-14-4-6-16(7-5-14)20-28(26,27)17-8-9-18(19(11-17)22(24)25)21-10-2-3-15(12-21)13-23/h8-9,11,14-16,20,23H,2-7,10,12-13H2,1H3/t14?,15-,16?/m1/s1