3-[[[(2S)-2-(4-bromanylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[[(2S)-2-(4-bromanylphenoxy)propanoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[[(2S)-2-(4-bromophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[(2S)-2-(4-bromophenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[[(2S)-2-(4-bromophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[(2S)-2-(4-bromophenoxy)propanoyl]amino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C18H20BrN3O5S MolecularWeight: 470.3375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)OC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O5S/c1-12(27-15-9-7-14(19)8-10-15)17(23)20-21-18(24)13-5-4-6-16(11-13)28(25,26)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1