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

Systemtic Name: 2-methyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitro-benzamide Openeye Name: 2-methyl-3-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: 2-methyl-N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitrobenzamide Traditional Name: 2-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-16-9-11-19(12-10-16)31(29,30)24-15-4-3-6-18(24)13-14-23-22(26)20-7-5-8-21(17(20)2)25(27)28/h5,7-12,18H,3-4,6,13-15H2,1-2H3,(H,23,26)