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

Systemtic Name: 4-[[2-[furan-2-ylsulfonyl(propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[2-furylsulfonyl(propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[2-furanylsulfonyl(propyl)amino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[furan-2-ylsulfonyl(propyl)amino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[2-furylsulfonyl(propyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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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=CO3

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CO3

InChI

InChI=1S/C22H23NO6S/c1-3-12-23(30(26,27)21-5-4-13-28-21)19-11-6-16(2)14-20(19)29-15-17-7-9-18(10-8-17)22(24)25/h4-11,13-14H,3,12,15H2,1-2H3,(H,24,25)