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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-ethoxypyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-ethoxy-nicotinamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-28-21-18(9-8-12-22-21)20(25)23-17-11-10-16(2)19(15-17)29(26,27)24-13-6-4-5-7-14-24/h8-12,15H,3-7,13-14H2,1-2H3,(H,23,25)