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

Systemtic Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methylsulfonylamino)propanoate Openeye Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methanesulfonamido)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(methanesulfonamido)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-(methanesulfonamido)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(methanesulfonamido)propionic acid (3,5-dimethylbenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14-8-15(2)10-16(9-14)13-27-21(24)20(23-28(3,25)26)11-17-12-22-19-7-5-4-6-18(17)19/h4-10,12,20,22-23H,11,13H2,1-3H3