2-[(3-bromophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromophenyl)methyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromophenyl)methyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromobenzyl)-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-phenyl-propionic acid Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O)C)C)OC

InChI

InChI=1S/C26H28BrNO5S/c1-17-13-24(33-4)18(2)19(3)25(17)34(31,32)28(16-21-11-8-12-22(27)14-21)23(26(29)30)15-20-9-6-5-7-10-20/h5-14,23H,15-16H2,1-4H3,(H,29,30)