3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxypyridin-3-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxypyridin-3-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxy-3-pyridyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(6-methoxy-3-pyridinyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxypyridin-3-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methoxy-3-pyridyl)propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O4S/c1-28-21-13-9-18(16-22-21)23-20(25)12-8-17-6-10-19(11-7-17)29(26,27)24-14-4-2-3-5-15-24/h6-7,9-11,13,16H,2-5,8,12,14-15H2,1H3,(H,23,25)