6-(azepan-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-(5-esyl-2-hydroxy-phenyl)nicotinamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-2-28(26,27)16-8-9-18(24)17(13-16)22-20(25)15-7-10-19(21-14-15)23-11-5-3-4-6-12-23/h7-10,13-14,24H,2-6,11-12H2,1H3,(H,22,25)