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

Systemtic Name: 8-bromanyl-7-methoxy-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 8-bromo-7-methoxy-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 8-bromo-7-methoxy-2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 8-bromo-7-methoxy-2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 8-bromo-7-methoxy-2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H28BrN3O4S MolecularWeight: 510.44442

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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)OC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S/c1-24-10-12-25(13-11-24)19-14-17(5-7-20(19)29-2)31(27,28)26-9-8-16-4-6-21(30-3)22(23)18(16)15-26/h4-7,14H,8-13,15H2,1-3H3