3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]propionamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H31N3O4S/c1-17-15-18(2)25-23(28)21(17)16-24-22(27)12-9-19-7-10-20(11-8-19)31(29,30)26-13-5-3-4-6-14-26/h7-8,10-11,15H,3-6,9,12-14,16H2,1-2H3,(H,24,27)(H,25,28)