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

Systemtic Name: N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[[1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl]benzamide CAS Name: N-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(1-tosylpyrrolidin-2-yl)methyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-7-9-18(10-8-14)28(26,27)21-11-3-6-17(21)13-20-19(23)15-4-2-5-16(12-15)22(24)25/h2,4-5,7-10,12,17H,3,6,11,13H2,1H3,(H,20,23)