[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(7-ethyl-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-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-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-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C

InChI

InChI=1S/C23H24N2O5S/c1-3-15-9-6-10-18-19(12-24-22(15)18)21(26)14-30-23(27)20-11-16-7-4-5-8-17(16)13-25(20)31(2,28)29/h4-10,12,20,24H,3,11,13-14H2,1-2H3