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

Systemtic Name: [2-[2-(2-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[2-(2-chlorobenzoyl)hydrazino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(2-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[N'-(2-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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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)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22ClN3O7S/c1-14-6-7-15(12-18(14)33(29,30)25-8-10-31-11-9-25)21(28)32-13-19(26)23-24-20(27)16-4-2-3-5-17(16)22/h2-7,12H,8-11,13H2,1H3,(H,23,26)(H,24,27)