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

Systemtic Name: 4-[[2-[furan-2-ylsulfonyl(prop-2-enyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[allyl(2-furylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-furanylsulfonyl(prop-2-enyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[furan-2-ylsulfonyl(prop-2-enyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[allyl(2-furylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC=C)S(=O)(=O)C2=CC=CO2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC=C)S(=O)(=O)C2=CC=CO2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-3-12-23(30(26,27)21-5-4-13-28-21)19-11-6-16(2)14-20(19)29-15-17-7-9-18(10-8-17)22(24)25/h3-11,13-14H,1,12,15H2,2H3,(H,24,25)