2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-methylthiazol-2-yl)sulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C16H18N4O5S3 MolecularWeight: 442.53292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S3/c1-12-10-26-16(17-12)27-11-15(21)18-5-7-19(8-6-18)28(24,25)14-4-2-3-13(9-14)20(22)23/h2-4,9-10H,5-8,11H2,1H3