ethyl 4-[[3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-oxo-3-(p-tolylmethyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(4-methylphenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-methylphenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[2-keto-3-(4-methylbenzyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C22H25N3O6S/c1-3-30-21(26)23-10-12-24(13-11-23)32(28,29)18-8-9-19-20(14-18)31-22(27)25(19)15-17-6-4-16(2)5-7-17/h4-9,14H,3,10-13,15H2,1-2H3