4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S/c1-11(2)17-24(22,23)14-5-6-15(16(8-14)19(20)21)18-9-12(3)7-13(4)10-18/h5-6,8,11-13,17H,7,9-10H2,1-4H3/t12-,13-/m1/s1