2-[2-[(3-methoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(3-methoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[N-(benzenesulfonyl)-3-methoxy-anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-3-methoxyanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-besyl-3-methoxy-anilino)acetyl]amino]benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-30-17-9-7-8-16(14-17)24(31(28,29)18-10-3-2-4-11-18)15-21(25)23-20-13-6-5-12-19(20)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)