5-bromanyl-2-methoxy-N-(3-phenylsulfanylpropyl)benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-(3-phenylsulfanylpropyl)benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-(3-phenylsulfanylpropyl)benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[3-(phenylthio)propyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-(3-phenylsulfanylpropyl)benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[3-(phenylthio)propyl]benzenesulfonamide Formula: C16H18BrNO3S2 MolecularWeight: 416.35302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C16H18BrNO3S2/c1-21-15-9-8-13(17)12-16(15)23(19,20)18-10-5-11-22-14-6-3-2-4-7-14/h2-4,6-9,12,18H,5,10-11H2,1H3