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

Systemtic Name: 4-[[5-methyl-2-[2-methylprop-2-enyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2-methylallyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2-methylprop-2-enyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2-methylprop-2-enyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(2-methylallyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC(=C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC(=C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H25NO5S/c1-18(2)16-26(32(29,30)22-7-5-4-6-8-22)23-14-9-19(3)15-24(23)31-17-20-10-12-21(13-11-20)25(27)28/h4-15H,1,16-17H2,2-3H3,(H,27,28)