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

Systemtic Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethyl]benzamide CAS Name: N-[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethyl]-2-nitrobenzamide IUPAC Name: N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-2-nitrobenzamide Traditional Name: 2-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/c1-16-9-11-18(12-10-16)30(28,29)23-15-5-4-6-17(23)13-14-22-21(25)19-7-2-3-8-20(19)24(26)27/h2-3,7-12,17H,4-6,13-15H2,1H3,(H,22,25)