2-(4-pentanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-pentanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-pentanoylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxopentyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-(4-pentanoylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-valerylpiperazino)sulfonylbenzonitrile Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H21N3O3S/c1-2-3-8-16(20)18-9-11-19(12-10-18)23(21,22)15-7-5-4-6-14(15)13-17/h4-7H,2-3,8-12H2,1H3