2-[6-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid

Systemtic Name: 2-[6-(phenylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Openeye Name: 2-[6-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid CAS Name: 2-[6-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid IUPAC Name: 2-[6-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Traditional Name: 2-[6-(benzenesulfonamido)-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCC2=C(C1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)O)N1CCC2=C(C1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-2-18(19(22)23)21-11-10-14-12-16(9-8-15(14)13-21)20-26(24,25)17-6-4-3-5-7-17/h3-9,12,18,20H,2,10-11,13H2,1H3,(H,22,23)