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

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

C1CN(CC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/C19H22N2O4S/c22-19(23)7-4-11-21-12-10-15-13-17(9-8-16(15)14-21)20-26(24,25)18-5-2-1-3-6-18/h1-3,5-6,8-9,13,20H,4,7,10-12,14H2,(H,22,23)