4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2,4-dimethylphenyl)-3-nitro-N-(2-oxidanylidene-2-piperidin-1-yl-ethyl)benzenesulfonamide Openeye Name: 4-chloro-N-(2,4-dimethylphenyl)-3-nitro-N-[2-oxo-2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-(2,4-dimethylphenyl)-3-nitro-N-[2-oxo-2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(2,4-dimethylphenyl)-3-nitro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-chloro-N-(2,4-dimethylphenyl)-N-(2-keto-2-piperidino-ethyl)-3-nitro-benzenesulfonamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=O)N2CCCCC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H24ClN3O5S/c1-15-6-9-19(16(2)12-15)24(14-21(26)23-10-4-3-5-11-23)31(29,30)17-7-8-18(22)20(13-17)25(27)28/h6-9,12-13H,3-5,10-11,14H2,1-2H3