4-[4-(2-phenylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-phenylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-phenylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-phenylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-phenylbutanoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-2-20(18-6-4-3-5-7-18)21(25)23-12-14-24(15-13-23)28(26,27)19-10-8-17(16-22)9-11-19/h3-11,20H,2,12-15H2,1H3