1-bromanylbutan-2-ol; 4-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: 1-bromanylbutan-2-ol; 4-methyl-N-phenyl-benzenesulfonamide Openeye Name: 1-bromobutan-2-ol; 4-methyl-N-phenyl-benzenesulfonamide CAS Name: 1-bromo-2-butanol; 4-methyl-N-phenylbenzenesulfonamide IUPAC Name: 1-bromobutan-2-ol; 4-methyl-N-phenylbenzenesulfonamide Traditional Name: 1-bromobutan-2-ol; 4-methyl-N-phenyl-benzenesulfonamide Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CBr)O.CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CCC(CBr)O.CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H13NO2S.C4H9BrO/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2-4(6)3-5/h2-10,14H,1H3;4,6H,2-3H2,1H3