[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[N'-[4-(diethylamino)benzoyl]hydrazino]-2-keto-ethyl] ester Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O6S/c1-4-23(5-2)17-8-6-15(7-9-17)19(26)22-21-18(25)14-30-20(27)16-10-12-24(13-11-16)31(3,28)29/h6-9,16H,4-5,10-14H2,1-3H3,(H,21,25)(H,22,26)