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

Systemtic Name: 4-methyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-3-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: 4-methyl-N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[2-(1-tosyl-2-piperidyl)ethyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-16-6-10-20(11-7-16)31(29,30)24-14-4-3-5-19(24)12-13-23-22(26)18-9-8-17(2)21(15-18)25(27)28/h6-11,15,19H,3-5,12-14H2,1-2H3,(H,23,26)