[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 2-oxo-1H-pyridine-3-carboxylate CAS Name: 2-oxo-1H-pyridine-3-carboxylic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-keto-1H-pyridine-3-carboxylic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CNC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=CNC3=O

InChI

InChI=1S/C20H22ClN3O6S/c21-16-8-7-14(31(28,29)24-10-3-1-2-4-11-24)12-17(16)23-18(25)13-30-20(27)15-6-5-9-22-19(15)26/h5-9,12H,1-4,10-11,13H2,(H,22,26)(H,23,25)