[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H27BrN2O6S MolecularWeight: 587.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H27BrN2O6S/c1-3-35-24-13-10-22(28)16-25(24)37(33,34)29-23-11-8-20(9-12-23)27(32)36-18(2)26(31)30-15-14-19-6-4-5-7-21(19)17-30/h4-13,16,18,29H,3,14-15,17H2,1-2H3