(6-chloranyl-1H-indol-3-yl) 2-methyl-4-[4-(methylsulfonylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: (6-chloranyl-1H-indol-3-yl) 2-methyl-4-[4-(methylsulfonylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: (6-chloro-1H-indol-3-yl) 4-[4-(methanesulfonamido)phenyl]-2-methyl-4-oxo-butanoate CAS Name: 4-[4-(methanesulfonamido)phenyl]-2-methyl-4-oxobutanoic acid (6-chloro-1H-indol-3-yl) ester IUPAC Name: (6-chloro-1H-indol-3-yl) 4-[4-(methanesulfonamido)phenyl]-2-methyl-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methanesulfonamido)phenyl]-2-methyl-butyric acid (6-chloro-1H-indol-3-yl) ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C20H19ClN2O5S/c1-12(9-18(24)13-3-6-15(7-4-13)23-29(2,26)27)20(25)28-19-11-22-17-10-14(21)5-8-16(17)19/h3-8,10-12,22-23H,9H2,1-2H3