[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C22H22N2O5S/c1-14-21(17-9-5-6-10-18(17)23-14)20(25)13-29-22(26)19-11-15-7-3-4-8-16(15)12-24(19)30(2,27)28/h3-10,19,23H,11-13H2,1-2H3