3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H16ClN3O3S/c19-16-6-1-2-7-17(16)26(24,25)22-10-8-21(9-11-22)18(23)15-5-3-4-14(12-15)13-20/h1-7,12H,8-11H2