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

Systemtic Name: 5,8-bis(chloranyl)-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 5,8-dichloro-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 5,8-dichloro-2-[4-methoxy-3-(1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 5,8-dichloro-2-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 5,8-dichloro-2-(4-methoxy-3-piperazino-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C20H24Cl3N3O3S MolecularWeight: 492.84686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C=CC(=C3C2)Cl)Cl)N4CCNCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C=CC(=C3C2)Cl)Cl)N4CCNCC4.Cl

InChI

InChI=1S/C20H23Cl2N3O3S.ClH/c1-28-20-5-2-14(12-19(20)24-10-7-23-8-11-24)29(26,27)25-9-6-15-16(13-25)18(22)4-3-17(15)21;/h2-5,12,23H,6-11,13H2,1H3;1H