3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-N-propargyl-benzenesulfonamide Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5S2/c1-4-11-26-34(29,30)19-8-5-7-18(14-19)25(28)27-12-10-17-15-21(31-2)22(32-3)16-20(17)24(27)23-9-6-13-33-23/h1,5-9,13-16,24,26H,10-12H2,2-3H3