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

Systemtic Name: N-(cyclopropylcarbamoyl)-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-(cyclopropylcarbamoyl)acetamide CAS Name: N-[(cyclopropylamino)-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-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(cyclopropylcarbamoyl)acetamide Formula: C22H27N5O4S2 MolecularWeight: 489.61088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O4S2/c28-20(25-22(29)24-18-6-7-18)16-32-21-9-8-19(14-23-21)33(30,31)27-12-10-26(11-13-27)15-17-4-2-1-3-5-17/h1-5,8-9,14,18H,6-7,10-13,15-16H2,(H2,24,25,28,29)