1-benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxyphenyl]piperazin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-[5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-2-methoxy-phenyl]piperazino]methanone Formula: C31H33N3O6S2 MolecularWeight: 607.74022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)N4CCN(CC4)C(=O)C5=CC6=CC=CC=C6S5

InChI

InChI=1S/C31H33N3O6S2/c1-38-26-9-8-24(42(36,37)34-11-10-21-16-27(39-2)28(40-3)17-23(21)20-34)19-25(26)32-12-14-33(15-13-32)31(35)30-18-22-6-4-5-7-29(22)41-30/h4-9,16-19H,10-15,20H2,1-3H3