3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methylpyridin-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methylpyridin-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridyl)propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-7-6-8-20(22-17)23-21(25)14-11-18-9-12-19(13-10-18)28(26,27)24-15-4-2-3-5-16-24/h6-10,12-13H,2-5,11,14-16H2,1H3,(H,22,23,25)