3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(4-methoxyphenyl)sulfonylpiperazino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H20N4O8S MolecularWeight: 476.4598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H20N4O8S/c1-31-15-3-5-16(6-4-15)33(29,30)22-10-8-21(9-11-22)19(25)13-23-17-7-2-14(24(27)28)12-18(17)32-20(23)26/h2-7,12H,8-11,13H2,1H3