N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methylthio)nicotinamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-26-19-17(7-6-12-20-19)18(23)21-15-8-10-16(11-9-15)27(24,25)22-13-4-2-3-5-14-22/h6-12H,2-5,13-14H2,1H3,(H,21,23)