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

Systemtic Name: ethyl 2-[2-oxidanylidene-6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1,3-benzoxazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-(4-benzylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[2-oxo-6-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-1,3-benzoxazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-benzylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[6-(4-benzylpiperazino)sulfonyl-2-keto-1,3-benzoxazol-3-yl]acetic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-2-30-21(26)16-25-19-9-8-18(14-20(19)31-22(25)27)32(28,29)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3