N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O5S2/c1-14-11-16(20-27-14)19-17(23)12-28-13-18(24)21-7-9-22(10-8-21)29(25,26)15-5-3-2-4-6-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,20,23)