2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(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=C3C#N

Isomeric SMILES

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

InChI

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