4-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(4-methoxyphenyl)sulfonylnipecotoyl]amino]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-28-17-8-10-18(11-9-17)29(26,27)22-12-2-3-15(13-22)19(23)21-16-6-4-14(5-7-16)20(24)25/h4-11,15H,2-3,12-13H2,1H3,(H,21,23)(H,24,25)