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

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(4-iodoanilino)-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-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-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-(4-iodoanilino)-2-keto-ethyl] ester Formula: C24H20FIN2O5S MolecularWeight: 594.393873

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3F)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C24H20FIN2O5S/c25-20-7-3-4-8-22(20)34(31,32)28-14-17-6-2-1-5-16(17)13-21(28)24(30)33-15-23(29)27-19-11-9-18(26)10-12-19/h1-12,21H,13-15H2,(H,27,29)