2-[4-methyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: 2-[4-methyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-5-yl]ethanamide Openeye Name: 2-[4-methyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-thiazol-5-yl]acetamide CAS Name: 2-[4-methyl-2-[[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-5-thiazolyl]acetamide IUPAC Name: 2-[4-methyl-2-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[2-[[2-keto-2-[4-(3-nitrophenyl)sulfonylpiperazino]ethyl]thio]-4-methyl-thiazol-5-yl]acetamide Formula: C18H21N5O6S3 MolecularWeight: 499.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C18H21N5O6S3/c1-12-15(10-16(19)24)31-18(20-12)30-11-17(25)21-5-7-22(8-6-21)32(28,29)14-4-2-3-13(9-14)23(26)27/h2-4,9H,5-8,10-11H2,1H3,(H2,19,24)