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

Systemtic Name: [(3S)-3-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-2-tert-butoxycarbonyl-3-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-3-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-2-tert-butoxycarbonyl-3-carbomethoxy-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)OC)C=CC(=C2)NS(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)OC)C=CC(=C2)NS(=O)(=O)O

InChI

InChI=1S/C16H22N2O7S/c1-16(2,3)25-15(20)18-9-11-7-12(17-26(21,22)23)6-5-10(11)8-13(18)14(19)24-4/h5-7,13,17H,8-9H2,1-4H3,(H,21,22,23)/t13-/m0/s1