N-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide

Systemtic Name: N-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-isoxazol-2-yl]methyl]acetamide CAS Name: N-[[4-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-5-oxo-2-isoxazolyl]methyl]acetamide IUPAC Name: N-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide Traditional Name: N-[[5-keto-4-[4-(4-mesylpiperazino)phenyl]-3-isoxazolin-2-yl]methyl]acetamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H22N4O5S/c1-13(22)18-12-20-11-16(17(23)26-20)14-3-5-15(6-4-14)19-7-9-21(10-8-19)27(2,24)25/h3-6,11H,7-10,12H2,1-2H3,(H,18,22)