[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C18H18ClN3O6S/c19-15-2-1-14(11-16(15)29(25,26)22-7-9-27-10-8-22)21-17(23)12-28-18(24)13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H,21,23)