N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-4-fluoro-benzenesulfonamide Formula: C18H23FN4O4S2 MolecularWeight: 442.528023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H23FN4O4S2/c1-28(24,25)21-18-13-15(23-11-2-9-20-10-12-23)5-8-17(18)22-29(26,27)16-6-3-14(19)4-7-16/h3-8,13,20-22H,2,9-12H2,1H3