[1-(methylcarbamoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid

Systemtic Name: [1-(methylcarbamoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [2-benzyloxycarbonyl-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [1-(methylcarbamoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [1-(methylcarbamoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [2-carbobenzoxy-1-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)C1C2=C(CCN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)NS(=O)(=O)O

InChI

InChI=1S/C19H21N3O6S/c1-20-18(23)17-16-11-15(21-29(25,26)27)8-7-14(16)9-10-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-8,11,17,21H,9-10,12H2,1H3,(H,20,23)(H,25,26,27)