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

Systemtic Name: 2-(4-butanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-butanoylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxobutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-(4-butanoylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-butyrylpiperazino)sulfonylbenzonitrile Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-2-5-15(19)17-8-10-18(11-9-17)22(20,21)14-7-4-3-6-13(14)12-16/h3-4,6-7H,2,5,8-11H2,1H3