4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-3-nitro-benzenesulfonamide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C13H19N3O4S/c1-9-5-10(2)8-15(7-9)12-4-3-11(21(14,19)20)6-13(12)16(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H2,14,19,20)/t9-,10-/m1/s1