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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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