[2-(4-bromophenyl)carbonyl-6-(but-3-enylamino)phenyl]-hexoxy-methanesulfonamide

Systemtic Name: [2-(4-bromophenyl)carbonyl-6-(but-3-enylamino)phenyl]-hexoxy-methanesulfonamide Openeye Name: [2-(4-bromobenzoyl)-6-(but-3-enylamino)phenyl]-hexoxy-methanesulfonamide CAS Name: [2-[(4-bromophenyl)-oxomethyl]-6-(but-3-enylamino)phenyl]-hexoxymethanesulfonamide IUPAC Name: [2-(4-bromobenzoyl)-6-(but-3-enylamino)phenyl]-hexoxymethanesulfonamide Traditional Name: [2-(4-bromobenzoyl)-6-(but-3-enylamino)phenyl]-hexoxy-methanesulfonamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C1=C(C=CC=C1NCCC=C)C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N

Isomeric SMILES

CCCCCCOC(C1=C(C=CC=C1NCCC=C)C(=O)C2=CC=C(C=C2)Br)S(=O)(=O)N

InChI

InChI=1S/C24H31BrN2O4S/c1-3-5-7-8-17-31-24(32(26,29)30)22-20(10-9-11-21(22)27-16-6-4-2)23(28)18-12-14-19(25)15-13-18/h4,9-15,24,27H,2-3,5-8,16-17H2,1H3,(H2,26,29,30)