4-[[2-[cyclopentylmethyl(propylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CC1CCCC1)C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N(CC1CCCC1)C2=C(C=C(C=C2)C)OCC3=CC=C(C=C3)C(=O)O

InChI

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