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

Systemtic Name: [(3S)-3-(methylcarbamoyl)-2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-3-(methylcarbamoyl)-2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-(methylcarbamoyl)-2-(1-oxo-4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-(methylcarbamoyl)-2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-3-(methylcarbamoyl)-2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1C(=O)CCCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1C(=O)CCCC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C21H25N3O5S/c1-22-21(26)19-13-16-10-11-18(23-30(27,28)29)12-17(16)14-24(19)20(25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,19,23H,5,8-9,13-14H2,1H3,(H,22,26)(H,27,28,29)/t19-/m0/s1