(3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoate CAS Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propionic acid (3,5-dimethylbenzyl) ester Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2O4S/c1-18-12-19(2)14-20(13-18)17-32-26(29)25(28-33(30,31)22-8-4-3-5-9-22)15-21-16-27-24-11-7-6-10-23(21)24/h3-14,16,25,27-28H,15,17H2,1-2H3