2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C19H18N4O5S3 MolecularWeight: 478.56502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

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