4-[[5-chloranyl-2-[2-methylprop-2-enyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[2-methylprop-2-enyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2-methylallyl)amino]-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2-methylprop-2-enyl)amino]-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2-methylprop-2-enyl)amino]-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(2-methylallyl)amino]-5-chloro-phenoxy]methyl]benzoic acid Formula: C24H22ClNO5S MolecularWeight: 471.95318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=C)CN(C1=C(C=C(C=C1)Cl)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22ClNO5S/c1-17(2)15-26(32(29,30)21-6-4-3-5-7-21)22-13-12-20(25)14-23(22)31-16-18-8-10-19(11-9-18)24(27)28/h3-14H,1,15-16H2,2H3,(H,27,28)