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

Systemtic Name: [(3S)-3-(methylcarbamoyl)-2-(2-phenoxyethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-(methylcarbamoyl)-2-(1-oxo-2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-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)C1CC2=C(CN1C(=O)COC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)COC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C19H21N3O6S/c1-20-19(24)17-10-13-7-8-15(21-29(25,26)27)9-14(13)11-22(17)18(23)12-28-16-5-3-2-4-6-16/h2-9,17,21H,10-12H2,1H3,(H,20,24)(H,25,26,27)/t17-/m0/s1