4-methoxy-3-(4-methylpiperazin-1-yl)-7-phenyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 4-methoxy-3-(4-methylpiperazin-1-yl)-7-phenyl-1-(phenylsulfonyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(benzenesulfonyl)-4-methoxy-3-(4-methylpiperazin-1-yl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(benzenesulfonyl)-4-methoxy-3-(4-methyl-1-piperazinyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(benzenesulfonyl)-4-methoxy-3-(4-methylpiperazin-1-yl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-besyl-4-methoxy-3-(4-methylpiperazino)-7-phenyl-1,2,3,4-tetrahydroisoquinoline Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2C(C3=C(C=C(C=C3)C4=CC=CC=C4)C(N2)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)C2C(C3=C(C=C(C=C3)C4=CC=CC=C4)C(N2)S(=O)(=O)C5=CC=CC=C5)OC

InChI

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