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

Systemtic Name: [2-[3-(3-sulfamoylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Openeye Name: [2-[3-(3-sulfamoylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid CAS Name: [2-[1-oxo-3-(3-sulfamoylphenyl)propyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid IUPAC Name: [2-[3-(3-sulfamoylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Traditional Name: [2-[3-(3-sulfamoylphenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)O)C(=O)CCC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O6S2/c19-28(23,24)17-3-1-2-13(10-17)4-7-18(22)21-9-8-14-5-6-16(11-15(14)12-21)20-29(25,26)27/h1-3,5-6,10-11,20H,4,7-9,12H2,(H2,19,23,24)(H,25,26,27)