4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[methyl(tosyl)amino]acetyl]amino]benzoic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

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