2-[(3-bromophenyl)methyl-(2,4-dichlorophenyl)sulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromophenyl)methyl-(2,4-dichlorophenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(2,4-dichlorophenyl)sulfonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-(2,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(2,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(2,4-dichlorophenyl)sulfonyl-amino]-3-phenyl-propionic acid Formula: C22H18BrCl2NO4S MolecularWeight: 543.25762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC(=CC=C2)Br)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18BrCl2NO4S/c23-17-8-4-7-16(11-17)14-26(20(22(27)28)12-15-5-2-1-3-6-15)31(29,30)21-10-9-18(24)13-19(21)25/h1-11,13,20H,12,14H2,(H,27,28)