2-[[2-[azanyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[azanyl-(4-methylphenyl)sulfonyl-amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 2-[[2-[amino(p-tolylsulfonyl)amino]-2-oxo-acetyl]amino]benzoic acid CAS Name: 2-[[2-[amino-(4-methylphenyl)sulfonylamino]-1,2-dioxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[amino-(4-methylphenyl)sulfonylamino]-2-oxoacetyl]amino]benzoic acid Traditional Name: 2-[[2-[amino(tosyl)amino]-2-keto-acetyl]amino]benzoic acid Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S/c1-10-6-8-11(9-7-10)26(24,25)19(17)15(21)14(20)18-13-5-3-2-4-12(13)16(22)23/h2-9H,17H2,1H3,(H,18,20)(H,22,23)