methyl 3-[(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate

Systemtic Name: methyl 3-[(3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Openeye Name: methyl 3-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate CAS Name: 3-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Traditional Name: 3-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

InChI

InChI=1S/C18H18N2O5S/c1-25-18(22)13-7-4-8-15(9-13)26(23,24)20-11-14-6-3-2-5-12(14)10-16(20)17(19)21/h2-9,16H,10-11H2,1H3,(H2,19,21)