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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-(4-tosylpiperazino)ethanone Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S3/c1-14-2-5-16(6-3-14)32(28,29)23-10-8-22(9-11-23)19(25)13-30-20-21-17-7-4-15(24(26)27)12-18(17)31-20/h2-7,12H,8-11,13H2,1H3