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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-N-methyl-3-nitro-benzenesulfonamide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-10-6-11(2)9-16(8-10)13-5-4-12(22(20,21)15-3)7-14(13)17(18)19/h4-5,7,10-11,15H,6,8-9H2,1-3H3/t10-,11-/m1/s1