4-bromanyl-N-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)sulfonyl-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)sulfonyl-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)sulfonyl-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)sulfonyl-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)sulfonyl-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-(2-chlorobenzyl)-3-methyl-N-p-phenetylsulfonyl-benzenesulfonamide Formula: C22H21BrClNO5S2 MolecularWeight: 558.89284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C22H21BrClNO5S2/c1-3-30-18-8-10-19(11-9-18)31(26,27)25(15-17-6-4-5-7-22(17)24)32(28,29)20-12-13-21(23)16(2)14-20/h4-14H,3,15H2,1-2H3