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

Systemtic Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Openeye Name: ammonium N-[(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate CAS Name: ammonium N-[(3S)-3-(methylcarbamoyl)-2-(1-oxo-3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate IUPAC Name: azanium N-[(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Traditional Name: ammonium N-[(3S)-2-hydrocinnamoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1C(=O)CCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C20H23N3O5S.H3N/c1-21-20(25)18-12-15-8-9-17(22-29(26,27)28)11-16(15)13-23(18)19(24)10-7-14-5-3-2-4-6-14;/h2-6,8-9,11,18,22H,7,10,12-13H2,1H3,(H,21,25)(H,26,27,28);1H3/t18-;/m0./s1