3-bromanyl-4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide Openeye Name: 3-bromo-4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide CAS Name: 3-bromo-4-methoxy-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzenesulfonamide IUPAC Name: 3-bromo-4-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzenesulfonamide Traditional Name: 3-bromo-4-methoxy-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzenesulfonamide Formula: C21H20BrNO3S2 MolecularWeight: 478.4224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H20BrNO3S2/c1-15-12-16(14-27-17-6-4-3-5-7-17)8-10-20(15)23-28(24,25)18-9-11-21(26-2)19(22)13-18/h3-13,23H,14H2,1-2H3