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

Systemtic Name: 4-[[2-[cyclopentylmethylsulfonyl(propan-2-yl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[cyclopentylmethylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[cyclopentylmethylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[cyclopentylmethylsulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[cyclopentylmethylsulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)CC2CCCC2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)CC2CCCC2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H31NO5S/c1-17(2)25(31(28,29)16-20-6-4-5-7-20)22-13-8-18(3)14-23(22)30-15-19-9-11-21(12-10-19)24(26)27/h8-14,17,20H,4-7,15-16H2,1-3H3,(H,26,27)