4-[[2-[(4-ethoxyphenyl)sulfonyl-propan-2-yl-amino]-5-methyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-propan-2-yl-amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-isopropyl-amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isopropyl(p-phenetylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C26H29NO6S/c1-5-32-22-11-13-23(14-12-22)34(30,31)27(18(2)3)24-15-6-19(4)16-25(24)33-17-20-7-9-21(10-8-20)26(28)29/h6-16,18H,5,17H2,1-4H3,(H,28,29)