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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(4-fluorophenyl)ethyl]-N-methyl-propionamide Formula: C24H31FN2O3S MolecularWeight: 446.577943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN2O3S/c1-19(21-10-12-22(25)13-11-21)26(2)24(28)16-9-20-7-14-23(15-8-20)31(29,30)27-17-5-3-4-6-18-27/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3