1-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[benzyl(methyl)amino]-3-nitro-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[methyl-(phenylmethyl)amino]-3-nitrophenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[benzyl(methyl)amino]-3-nitrophenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[benzyl(methyl)amino]-3-nitro-phenyl]sulfonylisonipecotic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-21(14-15-5-3-2-4-6-15)18-8-7-17(13-19(18)23(26)27)30(28,29)22-11-9-16(10-12-22)20(24)25/h2-8,13,16H,9-12,14H2,1H3,(H,24,25)