[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[N'-[4-(diethylamino)benzoyl]hydrazino]-2-keto-ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C22H27N3O6S/c1-5-25(6-2)17-10-8-16(9-11-17)21(27)24-23-20(26)14-31-22(28)19-13-18(32(4,29)30)12-7-15(19)3/h7-13H,5-6,14H2,1-4H3,(H,23,26)(H,24,27)