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

Systemtic Name: [2-[2-(2-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-(2-chlorobenzoyl)hydrazino]-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(2-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-[N'-(2-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H24ClN3O6S/c1-15-9-10-16(13-19(15)33(30,31)26-11-5-2-6-12-26)22(29)32-14-20(27)24-25-21(28)17-7-3-4-8-18(17)23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,27)(H,25,28)