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

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[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=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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