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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C26H25FN2O5S MolecularWeight: 496.550503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2O5S/c1-17-11-12-21(13-18(17)2)28-25(30)16-34-26(31)23-14-19-7-3-4-8-20(19)15-29(23)35(32,33)24-10-6-5-9-22(24)27/h3-13,23H,14-16H2,1-2H3,(H,28,30)