[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O5S/c1-3-29(26,27)23-13-17-7-5-4-6-16(17)12-19(23)21(25)28-14-20(24)22-18-10-8-15(2)9-11-18/h4-11,19H,3,12-14H2,1-2H3,(H,22,24)