2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1,3-benzothiazole Openeye Name: 6-nitro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1,3-benzothiazole Traditional Name: 6-nitro-2-(4-tosylpiperazino)-1,3-benzothiazole Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-13-2-5-15(6-3-13)28(25,26)21-10-8-20(9-11-21)18-19-16-7-4-14(22(23)24)12-17(16)27-18/h2-7,12H,8-11H2,1H3