ethyl 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[2-keto-6-(4-piperonylpiperazino)sulfonyl-1,3-benzoxazol-3-yl]acetic acid ethyl ester Formula: C23H25N3O8S MolecularWeight: 503.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O

InChI

InChI=1S/C23H25N3O8S/c1-2-31-22(27)14-26-18-5-4-17(12-20(18)34-23(26)28)35(29,30)25-9-7-24(8-10-25)13-16-3-6-19-21(11-16)33-15-32-19/h3-6,11-12H,2,7-10,13-15H2,1H3