[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21NO5S/c1-14-7-9-16(10-8-14)28(25,26)12-11-20(24)27-13-19(23)21-15(2)22-18-6-4-3-5-17(18)21/h3-10,22H,11-13H2,1-2H3