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

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[(3R)-3-oxidanylpiperidin-1-yl]benzenesulfonamide Openeye Name: 4-[(3R)-3-hydroxy-1-piperidyl]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(3R)-3-hydroxy-1-piperidinyl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3R)-3-hydroxypiperidin-1-yl]-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(3R)-3-hydroxypiperidino]-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-13-4-6-14(7-5-13)19-27(25,26)16-8-9-17(18(11-16)21(23)24)20-10-2-3-15(22)12-20/h8-9,11,13-15,19,22H,2-7,10,12H2,1H3/t13?,14?,15-/m1/s1