N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H23N5O7S2 MolecularWeight: 497.54522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O7S2/c1-13-11-17(21-31-13)20-19(26)14(2)32-12-18(25)22-7-9-23(10-8-22)33(29,30)16-6-4-3-5-15(16)24(27)28/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21,26)