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

Systemtic Name: 4-[[2-[cyclopentylsulfonyl(propan-2-yl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[cyclopentylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[cyclopentylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[cyclopentylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[cyclopentylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2CCCC2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2CCCC2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H29NO5S/c1-16(2)24(30(27,28)20-6-4-5-7-20)21-13-8-17(3)14-22(21)29-15-18-9-11-19(12-10-18)23(25)26/h8-14,16,20H,4-7,15H2,1-3H3,(H,25,26)