6-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-[4-(1,3-dimethyl-6-nitro-2-oxidanylidene-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-[4-(1,3-dimethyl-6-nitro-2-oxo-benzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[[4-(1,3-dimethyl-6-nitro-2-oxo-5-benzimidazolyl)-1-piperazinyl]sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-[4-(1,3-dimethyl-6-nitro-2-oxobenzimidazol-5-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-[4-(2-keto-1,3-dimethyl-6-nitro-benzimidazol-5-yl)piperazino]sulfonyl-3H-1,3-benzoxazol-2-one Formula: C20H20N6O7S MolecularWeight: 488.4738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5

InChI

InChI=1S/C20H20N6O7S/c1-22-14-10-16(17(26(29)30)11-15(14)23(2)20(22)28)24-5-7-25(8-6-24)34(31,32)12-3-4-13-18(9-12)33-19(27)21-13/h3-4,9-11H,5-8H2,1-2H3,(H,21,27)