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

Systemtic Name: 4-[[5-chloranyl-2-[(4-ethoxyphenyl)sulfonyl-propan-2-yl-amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-chloro-2-[(4-ethoxyphenyl)sulfonyl-isopropyl-amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[5-chloro-2-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-chloro-2-[(4-ethoxyphenyl)sulfonyl-propan-2-ylamino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[5-chloro-2-[isopropyl(p-phenetylsulfonyl)amino]phenoxy]methyl]benzoic acid Formula: C25H26ClNO6S MolecularWeight: 503.99504

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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)Cl)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)Cl)OCC3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C25H26ClNO6S/c1-4-32-21-10-12-22(13-11-21)34(30,31)27(17(2)3)23-14-9-20(26)15-24(23)33-16-18-5-7-19(8-6-18)25(28)29/h5-15,17H,4,16H2,1-3H3,(H,28,29)