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

Systemtic Name: N-cyclopentyl-2-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: N-cyclopentyl-2-[[5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-N-cyclopentyl-acetamide Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S2/c28-22(25-20-8-4-5-9-20)18-31-23-11-10-21(16-24-23)32(29,30)27-14-12-26(13-15-27)17-19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H,25,28)/p+1