4-chloranyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: 4-chloro-N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[2-(1-tosyl-2-piperidyl)ethyl]benzamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O5S/c1-15-5-8-18(9-6-15)31(29,30)24-13-3-2-4-17(24)11-12-23-21(26)16-7-10-19(22)20(14-16)25(27)28/h5-10,14,17H,2-4,11-13H2,1H3,(H,23,26)