1,3-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitro-benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitro-benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-nitro-6-[4-(p-tolylsulfonyl)piperazin-1-yl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-nitro-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-nitrobenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-(4-tosylpiperazino)benzimidazol-2-one Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C(=O)N4C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5S/c1-14-4-6-15(7-5-14)31(29,30)24-10-8-23(9-11-24)18-12-16-17(13-19(18)25(27)28)22(3)20(26)21(16)2/h4-7,12-13H,8-11H2,1-3H3