3-[4-(2-cyclopentylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-cyclopentylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-cyclopentylacetyl)piperazino]sulfonylbenzonitrile Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H23N3O3S/c19-14-16-6-3-7-17(12-16)25(23,24)21-10-8-20(9-11-21)18(22)13-15-4-1-2-5-15/h3,6-7,12,15H,1-2,4-5,8-11,13H2