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

Systemtic Name: 4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)benzonitrile CAS Name: 4-[oxo-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-(4-benzylsulfonylpiperazine-1-carbonyl)benzonitrile Traditional Name: 4-(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=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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