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

Systemtic Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-5-bromanyl-phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-5-bromo-benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[2-[(4-acetamidophenyl)sulfonylamino]-5-bromophenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-5-bromobenzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-[(4-acetamidophenyl)sulfonylamino]-5-bromo-benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C30H26BrN3O6S MolecularWeight: 636.51294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H26BrN3O6S/c1-19(35)32-24-12-14-25(15-13-24)41(39,40)34-27-16-11-23(31)18-26(27)29(36)33-28(30(37)38)17-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-16,18,28,34H,17H2,1H3,(H,32,35)(H,33,36)(H,37,38)