[(3S)-3-(ethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid

Systemtic Name: [(3S)-3-(ethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-2-tert-butoxycarbonyl-3-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-(ethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-(ethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-2-tert-butoxycarbonyl-3-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CCNC(=O)[C@@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C17H25N3O6S/c1-5-18-15(21)14-9-11-6-7-13(19-27(23,24)25)8-12(11)10-20(14)16(22)26-17(2,3)4/h6-8,14,19H,5,9-10H2,1-4H3,(H,18,21)(H,23,24,25)/t14-/m0/s1