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

Systemtic Name: ethyl 2-[2-oxidanylidene-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-oxo-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[2-oxo-6-[(4-phenyl-1-piperazinyl)sulfonyl]-1,3-benzoxazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-6-(4-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[2-keto-6-(4-phenylpiperazino)sulfonyl-1,3-benzoxazol-3-yl]acetic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-2-29-20(25)15-24-18-9-8-17(14-19(18)30-21(24)26)31(27,28)23-12-10-22(11-13-23)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3