[2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-(diethylamino)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(diethylamino)-5-morpholin-4-ylsulfonylanilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-(diethylamino)-5-morpholinosulfonyl-anilino]-2-keto-ethyl] ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H30N4O6S2/c1-4-26(5-2)20-9-8-17(35(30,31)27-11-13-32-14-12-27)15-19(20)25-21(28)16-33-23(29)18-7-6-10-24-22(18)34-3/h6-10,15H,4-5,11-14,16H2,1-3H3,(H,25,28)