N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]-N-methylacetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]-N-methylacetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-methyl-acetamide Formula: C20H24FN3O3S MolecularWeight: 405.486263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N(C)C1=C(C=CC(=C1)N2CCCNCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-15(25)23(2)19-14-17(24-12-3-10-22-11-13-24)6-9-20(19)28(26,27)18-7-4-16(21)5-8-18/h4-9,14,22H,3,10-13H2,1-2H3