4-fluoranyl-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[[3-methoxy-4-[2-(2-pyridyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[[3-methoxy-4-(2-pyridin-2-ylethoxy)phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[(3S)-2-ketoazepan-3-yl]-N-[3-methoxy-4-[2-(2-pyridyl)ethoxy]benzyl]benzenesulfonamide Formula: C27H30FN3O5S MolecularWeight: 527.607603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)F)OCCC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)CN([C@H]2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)F)OCCC4=CC=CC=N4

InChI

InChI=1S/C27H30FN3O5S/c1-35-26-18-20(8-13-25(26)36-17-14-22-6-2-4-15-29-22)19-31(24-7-3-5-16-30-27(24)32)37(33,34)23-11-9-21(28)10-12-23/h2,4,6,8-13,15,18,24H,3,5,7,14,16-17,19H2,1H3,(H,30,32)/t24-/m0/s1