2-[[4-[3-[1H-2,1,3-benzothiadiazol-3-ylcarbamoyl(methyl)amino]phenyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[3-[1H-2,1,3-benzothiadiazol-3-ylcarbamoyl(methyl)amino]phenyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[3-[1H-2,1,3-benzothiadiazol-3-ylcarbamoyl(methyl)amino]phenyl]anilino]benzoic acid CAS Name: 2-[4-[3-[[(1H-2,1,3-benzothiadiazol-3-ylamino)-oxomethyl]-methylamino]phenyl]anilino]benzoic acid IUPAC Name: 2-[4-[3-[1H-2,1,3-benzothiadiazol-3-ylcarbamoyl(methyl)amino]phenyl]anilino]benzoic acid Traditional Name: 2-[4-[3-[methyl(3H-piazthiol-1-ylcarbamoyl)amino]phenyl]anilino]benzoic acid Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O)C(=O)NN4C5=CC=CC=C5NS4

Isomeric SMILES

CN(C1=CC=CC(=C1)C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O)C(=O)NN4C5=CC=CC=C5NS4

InChI

InChI=1S/C27H23N5O3S/c1-31(27(35)29-32-25-12-5-4-11-24(25)30-36-32)21-8-6-7-19(17-21)18-13-15-20(16-14-18)28-23-10-3-2-9-22(23)26(33)34/h2-17,28,30H,1H3,(H,29,35)(H,33,34)