5,6-bis(chloranyl)-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 5,6-bis(chloranyl)-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 5,6-dichloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 5,6-dichloro-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 5,6-dichloro-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 5,6-dichloro-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H25Cl2N3O3S MolecularWeight: 470.4125

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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(=C4Cl)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=C(C3)C=CC(=C4Cl)Cl)OC

InChI

InChI=1S/C21H25Cl2N3O3S/c1-24-9-11-25(12-10-24)19-13-16(4-6-20(19)29-2)30(27,28)26-8-7-17-15(14-26)3-5-18(22)21(17)23/h3-6,13H,7-12,14H2,1-2H3