2-[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl]thio]nicotinic acid Formula: C22H26N4O7S2 MolecularWeight: 522.59444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)CSC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C22H26N4O7S2/c27-20(15-34-21-17(22(28)29)2-1-5-23-21)24-18-14-16(35(30,31)26-8-12-33-13-9-26)3-4-19(18)25-6-10-32-11-7-25/h1-5,14H,6-13,15H2,(H,24,27)(H,28,29)