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

Systemtic Name: N-(cyclopentylcarbamoyl)-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-(cyclopentylcarbamoyl)acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(cyclopentylcarbamoyl)acetamide Formula: C24H31N5O4S2 MolecularWeight: 517.66404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O4S2/c30-22(27-24(31)26-20-8-4-5-9-20)18-34-23-11-10-21(16-25-23)35(32,33)29-14-12-28(13-15-29)17-19-6-2-1-3-7-19/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17-18H2,(H2,26,27,30,31)