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

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[2-(1-tosyl-2-piperidyl)ethyl]benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-16-8-10-20(11-9-16)30(28,29)23-14-3-2-6-18(23)12-13-22-21(25)17-5-4-7-19(15-17)24(26)27/h4-5,7-11,15,18H,2-3,6,12-14H2,1H3,(H,22,25)