2-methoxy-5-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[(1-tosylisonipecotoyl)amino]methyl]benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-15-3-6-18(7-4-15)31(28,29)24-11-9-17(10-12-24)21(25)23-14-16-5-8-20(30-2)19(13-16)22(26)27/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)(H,26,27)