(2-aminocarbonyl-5-methoxy-phenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (2-aminocarbonyl-5-methoxy-phenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (2-carbamoyl-5-methoxy-phenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-carbamoyl-5-methoxyphenyl) ester IUPAC Name: (2-carbamoyl-5-methoxyphenyl) 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-carbamoyl-5-methoxy-phenyl) ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H22N2O6S/c1-31-19-8-11-21(23(25)27)22(14-19)32-24(28)17-6-9-20(10-7-17)33(29,30)26-13-12-16-4-2-3-5-18(16)15-26/h2-11,14H,12-13,15H2,1H3,(H2,25,27)