N-(2-chlorophenyl)-3-nitro-4-[(3R)-3-oxidanylpiperidin-1-yl]benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-nitro-4-[(3R)-3-oxidanylpiperidin-1-yl]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-4-[(3R)-3-hydroxy-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-(2-chlorophenyl)-4-[(3R)-3-hydroxy-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-4-[(3R)-3-hydroxypiperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-chlorophenyl)-4-[(3R)-3-hydroxypiperidino]-3-nitro-benzenesulfonamide Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-])O

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-])O

InChI

InChI=1S/C17H18ClN3O5S/c18-14-5-1-2-6-15(14)19-27(25,26)13-7-8-16(17(10-13)21(23)24)20-9-3-4-12(22)11-20/h1-2,5-8,10,12,19,22H,3-4,9,11H2/t12-/m1/s1