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

Systemtic Name: 5-[[[1-(3-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(3-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(3-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(3-acetylphenyl)sulfonylisonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O7S/c1-15(26)18-4-3-5-19(13-18)33(30,31)25-10-8-17(9-11-25)22(27)24-14-16-6-7-21(32-2)20(12-16)23(28)29/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,24,27)(H,28,29)