4-[[5-ethyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-ethyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(isopropyl)amino]-5-ethyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-ethylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-ethylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(isopropyl)amino]-5-ethyl-phenoxy]methyl]benzoic acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H27NO5S/c1-4-19-12-15-23(26(18(2)3)32(29,30)22-8-6-5-7-9-22)24(16-19)31-17-20-10-13-21(14-11-20)25(27)28/h5-16,18H,4,17H2,1-3H3,(H,27,28)