8-chloranyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 8-chloranyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 8-chloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 8-chloro-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 8-chloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 8-chloro-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C21H27Cl2N3O3S MolecularWeight: 472.42838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=C(C3)C(=CC=C4)Cl)OC.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=C(C3)C(=CC=C4)Cl)OC.Cl

InChI

InChI=1S/C21H26ClN3O3S.ClH/c1-23-10-12-24(13-11-23)20-14-17(6-7-21(20)28-2)29(26,27)25-9-8-16-4-3-5-19(22)18(16)15-25;/h3-7,14H,8-13,15H2,1-2H3;1H