N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: N-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-(phenylsulfonyl)benzenesulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(5-bromo-2-methoxy-phenyl)ethyl]benzenesulfonamide CAS Name: 3-(benzenesulfonyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide Traditional Name: 3-besyl-N-[2-(5-bromo-2-methoxy-phenyl)ethyl]benzenesulfonamide Formula: C21H20BrNO5S2 MolecularWeight: 510.4212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCNS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO5S2/c1-28-21-11-10-17(22)14-16(21)12-13-23-30(26,27)20-9-5-8-19(15-20)29(24,25)18-6-3-2-4-7-18/h2-11,14-15,23H,12-13H2,1H3