(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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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)N4CCCC4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4)C5=CC=CS5)OC

InChI

InChI=1S/C26H28N2O5S2/c1-32-22-16-18-10-13-28(25(24-9-6-14-34-24)21(18)17-23(22)33-2)26(29)19-7-5-8-20(15-19)35(30,31)27-11-3-4-12-27/h5-9,14-17,25H,3-4,10-13H2,1-2H3