2-[1-(phenylmethyl)-2-[1-(4-sulfamoylphenyl)ethylamino]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(phenylmethyl)-2-[1-(4-sulfamoylphenyl)ethylamino]indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-[1-(4-sulfamoylphenyl)ethylamino]indol-3-yl]acetic acid CAS Name: 2-[1-(phenylmethyl)-2-[1-(4-sulfamoylphenyl)ethylamino]-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-[1-(4-sulfamoylphenyl)ethylamino]indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-[1-(4-sulfamoylphenyl)ethylamino]indol-3-yl]acetic acid Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H25N3O4S/c1-17(19-11-13-20(14-12-19)33(26,31)32)27-25-22(15-24(29)30)21-9-5-6-10-23(21)28(25)16-18-7-3-2-4-8-18/h2-14,17,27H,15-16H2,1H3,(H,29,30)(H2,26,31,32)