N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-ethoxy-pyridine-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-ethoxypyridine-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-ethoxy-nicotinamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S/c1-3-29-21-17(9-8-12-22-21)20(25)23-18-15-16(10-11-19(18)28-2)30(26,27)24-13-6-4-5-7-14-24/h8-12,15H,3-7,13-14H2,1-2H3,(H,23,25)