4-[[5-methyl-2-[phenylsulfonyl(propyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-methyl-2-[phenylsulfonyl(propyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(propyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(propyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-3-15-25(31(28,29)21-7-5-4-6-8-21)22-14-9-18(2)16-23(22)30-17-19-10-12-20(13-11-19)24(26)27/h4-14,16H,3,15,17H2,1-2H3,(H,26,27)