2-[[5-bromanyl-2-[(4-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(4-nitrophenyl)sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-bromo-2-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-bromo-2-[(4-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-bromo-2-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-bromo-2-(nosylamino)benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H22BrN3O7S MolecularWeight: 624.45918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Br)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H22BrN3O7S/c29-21-10-15-25(31-40(38,39)23-13-11-22(12-14-23)32(36)37)24(17-21)27(33)30-26(28(34)35)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,26,31H,16H2,(H,30,33)(H,34,35)