3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-tosylpiperazino)sulfonylbenzonitrile Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c1-15-5-7-17(8-6-15)26(22,23)20-9-11-21(12-10-20)27(24,25)18-4-2-3-16(13-18)14-19/h2-8,13H,9-12H2,1H3