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

Systemtic Name: 2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline Formula: C27H31N3O3S MolecularWeight: 477.61834

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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)C5=CC=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=C(C3)C=C(C=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H31N3O3S/c1-28-14-16-29(17-15-28)26-19-25(10-11-27(26)33-2)34(31,32)30-13-12-22-8-9-23(18-24(22)20-30)21-6-4-3-5-7-21/h3-11,18-19H,12-17,20H2,1-2H3