N-(1-cyanocyclopentyl)-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S2/c25-19-24(10-4-5-11-24)27-22(30)18-33-23-9-8-21(16-26-23)34(31,32)29-14-12-28(13-15-29)17-20-6-2-1-3-7-20/h1-3,6-9,16H,4-5,10-15,17-18H2,(H,27,30)