4-chloranyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H24ClN3O5S/c1-15-10-16(2)13-23(12-15)21(26)14-24(17-6-4-3-5-7-17)31(29,30)18-8-9-19(22)20(11-18)25(27)28/h3-9,11,15-16H,10,12-14H2,1-2H3