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LSJ

Summary
Name:N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
Formula:C25 H25 N O4 S
Formal charge:0
Formula weight:435.535 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
OpenEye OEToolkits1.7.6N-[3-[(1Z)-1-(10-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC)ccc3)cccc4)CC)C
InChIInChI1.03InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20-
InChIKeyInChI1.03PHIKAOOZNGLKDI-QQTULTPQSA-N
SMILES_CANONICALCACTVS3.370CCC(\c1cccc(N[S](C)(=O)=O)c1)=C2/c3ccccc3OCc4cccc(OC)c24
SMILESCACTVS3.370CCC(c1cccc(N[S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c24
SMILES_CANONICALOpenEye OEToolkits1.7.6CC/C(=C/1\c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C
SMILESOpenEye OEToolkits1.7.6CCC(=C1c2ccccc2OCc3c1c(ccc3)OC)c4cccc(c4)NS(=O)(=O)C

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PDB entries from 2024-07-10

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