[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C20H22ClN3O6S2 MolecularWeight: 499.98818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C20H22ClN3O6S2/c21-15-8-7-14(12-17(15)32(28,29)24-9-3-1-2-4-10-24)20(27)30-13-18(25)22-23-19(26)16-6-5-11-31-16/h5-8,11-12H,1-4,9-10,13H2,(H,22,25)(H,23,26)