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

Systemtic Name: 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(4-p-phenetylsulfonylpiperazino)ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCOC1=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/C21H22N4O8S/c1-2-32-16-4-6-17(7-5-16)34(30,31)23-11-9-22(10-12-23)20(26)14-24-18-8-3-15(25(28)29)13-19(18)33-21(24)27/h3-8,13H,2,9-12,14H2,1H3