4-chloranyl-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-3-nitro-N-phenyl-benzenesulfonamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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