2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H27N3O6S2/c1-29-19-7-8-20(30-2)21(15-19)31(25,26)22-11-13-23(14-12-22)32(27,28)24-10-9-17-5-3-4-6-18(17)16-24/h3-8,15H,9-14,16H2,1-2H3