methyl 5-bromanyl-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 5-bromo-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoate CAS Name: 5-bromo-2-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoate Traditional Name: 5-bromo-2-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]benzoic acid methyl ester Formula: C24H21BrN2O5S MolecularWeight: 529.40294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H21BrN2O5S/c1-32-24(29)21-14-19(25)9-10-22(21)26-23(28)17-7-4-8-20(13-17)33(30,31)27-12-11-16-5-2-3-6-18(16)15-27/h2-10,13-14H,11-12,15H2,1H3,(H,26,28)