5,8-dimethoxy-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 5,8-dimethoxy-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 5,8-dimethoxy-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 5,8-dimethoxy-2-[4-methoxy-3-(1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 5,8-dimethoxy-2-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 5,8-dimethoxy-2-(4-methoxy-3-piperazino-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C22H30ClN3O5S MolecularWeight: 484.0087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCN(CC2=C(C=C1)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)N4CCNCC4.Cl

Isomeric SMILES

COC1=C2CCN(CC2=C(C=C1)OC)S(=O)(=O)C3=CC(=C(C=C3)OC)N4CCNCC4.Cl

InChI

InChI=1S/C22H29N3O5S.ClH/c1-28-20-6-7-21(29-2)18-15-25(11-8-17(18)20)31(26,27)16-4-5-22(30-3)19(14-16)24-12-9-23-10-13-24;/h4-7,14,23H,8-13,15H2,1-3H3;1H