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

Systemtic Name: ethyl 4-[[2-oxidanylidene-3-(phenylmethyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-benzyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[2-oxo-3-(phenylmethyl)-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(3-benzyl-2-keto-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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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=CC=C4

Isomeric SMILES

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

InChI

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