3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]sulfonylbenzonitrile Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O4S2/c1-15-6-7-16(2)19(12-15)28(25,26)22-10-8-21(9-11-22)27(23,24)18-5-3-4-17(13-18)14-20/h3-7,12-13H,8-11H2,1-2H3