4-[[4-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-16-12-19(27-2)20(28-3)13-21(16)29(25,26)24-10-8-23(9-11-24)15-18-6-4-17(14-22)5-7-18/h4-7,12-13H,8-11,15H2,1-3H3