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

Systemtic Name: [(3S)-3-(methylcarbamoyl)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [(3S)-2-benzylsulfonyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [(3S)-3-(methylcarbamoyl)-2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [(3S)-2-benzylsulfonyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [(3S)-2-benzylsulfonyl-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(CN1S(=O)(=O)CC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

Isomeric SMILES

CNC(=O)[C@@H]1CC2=C(CN1S(=O)(=O)CC3=CC=CC=C3)C=C(C=C2)NS(=O)(=O)O

InChI

InChI=1S/C18H21N3O6S2/c1-19-18(22)17-10-14-7-8-16(20-29(25,26)27)9-15(14)11-21(17)28(23,24)12-13-5-3-2-4-6-13/h2-9,17,20H,10-12H2,1H3,(H,19,22)(H,25,26,27)/t17-/m0/s1