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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

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