4-[[4-[[C-phenyl-N-(phenylsulfonyl)carbonimidoyl]amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[[C-phenyl-N-(phenylsulfonyl)carbonimidoyl]amino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[[N-(benzenesulfonyl)-C-phenyl-carbonimidoyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[4-[[benzenesulfonylimino(phenyl)methyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[4-[(N-besyl-C-phenyl-carbonimidoyl)amino]benzoyl]amino]benzoic acid Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H21N3O5S/c31-26(29-23-17-13-21(14-18-23)27(32)33)20-11-15-22(16-12-20)28-25(19-7-3-1-4-8-19)30-36(34,35)24-9-5-2-6-10-24/h1-18H,(H,28,30)(H,29,31)(H,32,33)