4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide

Systemtic Name: 4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide CAS Name: 4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide Traditional Name: 4-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CS4)OC

InChI

InChI=1S/C21H22N2O6S3/c1-28-18-12-14-9-10-23(21(20-4-3-11-30-20)17(14)13-19(18)29-2)32(26,27)16-7-5-15(6-8-16)31(22,24)25/h3-8,11-13,21H,9-10H2,1-2H3,(H2,22,24,25)/t21-/m0/s1