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

Systemtic Name: 4-[[5-methyl-2-[pentylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isopropyl(pentylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[pentylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[pentylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[amylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)N(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)C(C)C

Isomeric SMILES

CCCCCS(=O)(=O)N(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)C(C)C

InChI

InChI=1S/C23H31NO5S/c1-5-6-7-14-30(27,28)24(17(2)3)21-13-8-18(4)15-22(21)29-16-19-9-11-20(12-10-19)23(25)26/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,25,26)