N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-2-(methylthio)nicotinamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H28N4O3S2/c1-4-25(5-2)30(27,28)16-10-11-19(24-13-6-7-14-24)18(15-16)23-20(26)17-9-8-12-22-21(17)29-3/h8-12,15H,4-7,13-14H2,1-3H3,(H,23,26)