4-[[5-methyl-2-[prop-2-enyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[prop-2-enyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[allyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[prop-2-enyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[prop-2-enyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[allyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC=C)C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N(CC=C)C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25NO5S/c1-4-12-22(28(25,26)13-5-2)19-11-6-16(3)14-20(19)27-15-17-7-9-18(10-8-17)21(23)24/h4,6-11,14H,1,5,12-13,15H2,2-3H3,(H,23,24)