3-[(4-bromophenyl)sulfonylamino]-3-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-3-(3-phenoxyphenyl)propanoic acid Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-3-(3-phenoxyphenyl)propanoic acid CAS Name: 3-[(4-bromophenyl)sulfonylamino]-3-(3-phenoxyphenyl)propanoic acid IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-3-(3-phenoxyphenyl)propanoic acid Traditional Name: 3-(brosylamino)-3-(3-phenoxyphenyl)propionic acid Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO5S/c22-16-9-11-19(12-10-16)29(26,27)23-20(14-21(24)25)15-5-4-8-18(13-15)28-17-6-2-1-3-7-17/h1-13,20,23H,14H2,(H,24,25)