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

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-propyl-ethanamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-propyl-acetamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]-N-propylacetamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonylphenyl]-N-propylacetamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)sulfonyl-phenyl]-N-propyl-acetamide Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O3S/c1-3-13-26(17(2)27)21-16-19(25-14-4-11-24-12-15-25)7-10-22(21)30(28,29)20-8-5-18(23)6-9-20/h5-10,16,24H,3-4,11-15H2,1-2H3