2-methoxy-5-[[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-(3-methylpiperidino)sulfonylbenzoyl]amino]methyl]benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-15-4-3-11-24(14-15)31(28,29)18-8-6-17(7-9-18)21(25)23-13-16-5-10-20(30-2)19(12-16)22(26)27/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,23,25)(H,26,27)