2-azanyl-2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]ethanoic acid Openeye Name: 2-amino-2-[3,5-dimethyl-4-[[3-(p-tolylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid CAS Name: 2-amino-2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]acetic acid IUPAC Name: 2-amino-2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]acetic acid Traditional Name: 2-amino-2-[3,5-dimethyl-4-[(3-tosyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4C)C(C(=O)O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4C)C(C(=O)O)N)C

InChI

InChI=1S/C25H24N2O5S/c1-14-4-7-19(8-5-14)33(30,31)22-13-27-21-9-6-18(12-20(21)22)32-24-15(2)10-17(11-16(24)3)23(26)25(28)29/h4-13,23,27H,26H2,1-3H3,(H,28,29)