3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]sulfonylbenzonitrile Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)OC)OC

InChI

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