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

Systemtic Name: 7-bromanyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 7-bromo-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 7-bromo-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 7-bromo-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 7-bromo-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C21H27BrClN3O3S MolecularWeight: 516.87938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3S.ClH/c1-23-9-11-24(12-10-23)20-14-19(5-6-21(20)28-2)29(26,27)25-8-7-16-3-4-18(22)13-17(16)15-25;/h3-6,13-14H,7-12,15H2,1-2H3;1H