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

Systemtic Name: 5-[4-(4-fluoranyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-(4-fluoro-3-methylphenyl)sulfonyl-1-piperazinyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(4-fluoro-3-methyl-phenyl)sulfonylpiperazino]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C20H22FN5O5S MolecularWeight: 463.482583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN5O5S/c1-13-10-14(4-5-15(13)21)32(30,31)25-8-6-24(7-9-25)18-11-16-17(12-19(18)26(28)29)23(3)20(27)22(16)2/h4-5,10-12H,6-9H2,1-3H3