[2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2,4-dibromoanilino)-2-oxo-ethyl] 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,4-dibromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dibromoanilino)-2-oxoethyl] 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2,4-dibromoanilino)-2-keto-ethyl] ester Formula: C26H23Br3N2O6S MolecularWeight: 731.24762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)NC4=C(C=C(C=C4)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC(=O)NC4=C(C=C(C=C4)Br)Br

InChI

InChI=1S/C26H23Br3N2O6S/c1-2-36-23-10-8-19(28)13-24(23)38(34,35)31-14-17-6-4-3-5-16(17)11-22(31)26(33)37-15-25(32)30-21-9-7-18(27)12-20(21)29/h3-10,12-13,22H,2,11,14-15H2,1H3,(H,30,32)