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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H23FN2O5S/c1-17-10-12-20(13-11-17)27-24(29)16-33-25(30)22-14-18-6-2-3-7-19(18)15-28(22)34(31,32)23-9-5-4-8-21(23)26/h2-13,22H,14-16H2,1H3,(H,27,29)