4,5,6-trimethyl-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N4O4S2/c1-13-14(2)19(20(22)27)21(23-15(13)3)30-12-18(26)24-16-6-8-17(9-7-16)31(28,29)25-10-4-5-11-25/h6-9H,4-5,10-12H2,1-3H3,(H2,22,27)(H,24,26)