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

Systemtic Name: [(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-(methylcarbamoyl)-2-(1-oxo-3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-(methylcarbamoyl)-2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-2-hydrocinnamoyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/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)/t18-/m0/s1