3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)benzonitrile CAS Name: 3-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)benzonitrile Traditional Name: 3-(4-benzylsulfonylpiperazine-1-carbonyl)benzonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c20-14-17-7-4-8-18(13-17)19(23)21-9-11-22(12-10-21)26(24,25)15-16-5-2-1-3-6-16/h1-8,13H,9-12,15H2