3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C19H21N4O7S+ MolecularWeight: 449.45764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O7S/c1-29-17-7-6-14(12-16(17)23(25)26)31(27,28)21-10-8-20(9-11-21)13-22-15-4-2-3-5-18(15)30-19(22)24/h2-7,12H,8-11,13H2,1H3/p+1