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

Systemtic Name: [2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: (2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamic acid CAS Name: [2-(phenylmethyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: (2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamic acid Traditional Name: (2-benzylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O5S2/c19-24(20,12-13-4-2-1-3-5-13)18-9-8-14-6-7-16(10-15(14)11-18)17-25(21,22)23/h1-7,10,17H,8-9,11-12H2,(H,21,22,23)