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

Systemtic Name: [2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [2-(1-oxo-3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [2-(3-phenylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: (2-hydrocinnamoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O4S/c21-18(9-6-14-4-2-1-3-5-14)20-11-10-15-7-8-17(12-16(15)13-20)19-25(22,23)24/h1-5,7-8,12,19H,6,9-11,13H2,(H,22,23,24)