ethyl 4-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-keto-1,3-benzoxazol-3-yl)methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=O

InChI

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