2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H18N4O5S3 MolecularWeight: 478.56502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S3/c24-18(13-29-19-20-16-6-1-2-7-17(16)30-19)21-8-10-22(11-9-21)31(27,28)15-5-3-4-14(12-15)23(25)26/h1-7,12H,8-11,13H2