N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-methyl-ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonyl-phenyl]-N-methyl-acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]-N-methylacetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)sulfonylphenyl]-N-methylacetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(3-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=CC(=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c1-15(25)23(2)19-14-17(24-11-4-9-22-10-12-24)7-8-20(19)28(26,27)18-6-3-5-16(21)13-18/h3,5-8,13-14,22H,4,9-12H2,1-2H3