[2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-acetylhydrazino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H23N3O6S/c1-12-6-7-14(17(23)26-11-16(22)19-18-13(2)21)10-15(12)27(24,25)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,21)(H,19,22)