5-chloranyl-2-[ethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[ethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 5-chloro-2-[ethyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 5-chloro-2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-chloro-2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 5-chloro-2-[ethyl(tosyl)amino]benzoic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)Cl)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)Cl)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H16ClNO4S/c1-3-18(15-9-6-12(17)10-14(15)16(19)20)23(21,22)13-7-4-11(2)5-8-13/h4-10H,3H2,1-2H3,(H,19,20)