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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethoxypyridine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethoxy-nicotinamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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