1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[methyl(p-tolylsulfonyl)amino]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[methyl(tosyl)amino]benzoyl]isonipecotic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-15-3-9-19(10-4-15)29(27,28)22(2)18-7-5-16(6-8-18)20(24)23-13-11-17(12-14-23)21(25)26/h3-10,17H,11-14H2,1-2H3,(H,25,26)