[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O6S/c26-20(23-24-21(27)17-9-4-3-5-10-17)16-31-22(28)18-11-8-12-19(15-18)32(29,30)25-13-6-1-2-7-14-25/h3-5,8-12,15H,1-2,6-7,13-14,16H2,(H,23,26)(H,24,27)