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

Systemtic Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Openeye Name: ammonium N-[(3S)-2-benzoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate CAS Name: ammonium N-[(3S)-2-benzoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate IUPAC Name: azanium N-[(3S)-2-benzoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Traditional Name: ammonium N-[(3S)-2-benzoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1C(=O)C3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S.H3N/c1-19-17(22)16-10-13-7-8-15(20-27(24,25)26)9-14(13)11-21(16)18(23)12-5-3-2-4-6-12;/h2-9,16,20H,10-11H2,1H3,(H,19,22)(H,24,25,26);1H3/t16-;/m0./s1