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

Systemtic Name: 2-azanyl-3-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dimethyl-4-[[3-(p-tolylsulfonyl)-1H-indol-5-yl]oxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dimethyl-4-[(3-tosyl-1H-indol-5-yl)oxy]phenyl]propionic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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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)CC(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)CC(C(=O)O)N)C

InChI

InChI=1S/C26H26N2O5S/c1-15-4-7-20(8-5-15)34(31,32)24-14-28-23-9-6-19(13-21(23)24)33-25-16(2)10-18(11-17(25)3)12-22(27)26(29)30/h4-11,13-14,22,28H,12,27H2,1-3H3,(H,29,30)