1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[4-methoxy-3-(4-methylpiperazino)phenyl]sulfonyl-6-methyl-1,2,3,4-tetrahydroisoquinoline Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(NCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(NCC2)S(=O)(=O)C3=CC(=C(C=C3)OC)N4CCN(CC4)C

InChI

InChI=1S/C22H29N3O3S/c1-16-4-6-19-17(14-16)8-9-23-22(19)29(26,27)18-5-7-21(28-3)20(15-18)25-12-10-24(2)11-13-25/h4-7,14-15,22-23H,8-13H2,1-3H3