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

Systemtic Name: 5-bromanyl-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 5-bromo-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 5-bromo-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 5-bromo-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 5-bromo-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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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=C4Br)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=C(C3)C=CC=C4Br)OC

InChI

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