3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-fluoro-3-methyl-phenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4-fluoro-3-methylphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-fluoro-3-methylphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-fluoro-3-methyl-benzyl)propionamide Formula: C23H29FN2O3S MolecularWeight: 432.551363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN2O3S/c1-18-16-20(8-12-22(18)24)17-25-23(27)13-9-19-6-10-21(11-7-19)30(28,29)26-14-4-2-3-5-15-26/h6-8,10-12,16H,2-5,9,13-15,17H2,1H3,(H,25,27)