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

Systemtic Name: 4-[[2-[furan-2-ylsulfonyl(2-methylpropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-furylsulfonyl(isobutyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-furanylsulfonyl(2-methylpropyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[furan-2-ylsulfonyl(2-methylpropyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-furylsulfonyl(isobutyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25NO6S/c1-16(2)14-24(31(27,28)22-5-4-12-29-22)20-11-6-17(3)13-21(20)30-15-18-7-9-19(10-8-18)23(25)26/h4-13,16H,14-15H2,1-3H3,(H,25,26)