azanium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate

Systemtic Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Openeye Name: ammonium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate CAS Name: ammonium N-[(3S)-3-(methylcarbamoyl)-2-(1-oxo-2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate IUPAC Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Traditional Name: ammonium N-[(3S)-3-(methylcarbamoyl)-2-(2-phenoxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Formula: C19H24N4O6S MolecularWeight: 436.48206

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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-].[NH4+]

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)COC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C19H21N3O6S.H3N/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);1H3/t17-;/m0./s1