2-[(4-chlorophenyl)sulfonylamino]-3-[4-[3-[(phenylmethyl)carbamoylamino]phenyl]phenyl]propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfonylamino]-3-[4-[3-[(phenylmethyl)carbamoylamino]phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(benzylcarbamoylamino)phenyl]phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanoic acid CAS Name: 2-[(4-chlorophenyl)sulfonylamino]-3-[4-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(benzylcarbamoylamino)phenyl]phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-[3-(benzylcarbamoylamino)phenyl]phenyl]-2-[(4-chlorophenyl)sulfonylamino]propionic acid Formula: C29H26ClN3O5S MolecularWeight: 564.05184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H26ClN3O5S/c30-24-13-15-26(16-14-24)39(37,38)33-27(28(34)35)17-20-9-11-22(12-10-20)23-7-4-8-25(18-23)32-29(36)31-19-21-5-2-1-3-6-21/h1-16,18,27,33H,17,19H2,(H,34,35)(H2,31,32,36)