2-[2-[(3-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-mesyl-3-methyl-anilino)acetyl]amino]benzoic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C17H18N2O5S/c1-12-6-5-7-13(10-12)19(25(2,23)24)11-16(20)18-15-9-4-3-8-14(15)17(21)22/h3-10H,11H2,1-2H3,(H,18,20)(H,21,22)