4-[[5-chloranyl-2-[furan-2-ylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[furan-2-ylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-chloro-2-[2-furylsulfonyl(isopropyl)amino]phenoxy]methyl]benzoic acid CAS Name: 4-[[5-chloro-2-[2-furanylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-chloro-2-[furan-2-ylsulfonyl(propan-2-yl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[5-chloro-2-[2-furylsulfonyl(isopropyl)amino]phenoxy]methyl]benzoic acid Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO6S/c1-14(2)23(30(26,27)20-4-3-11-28-20)18-10-9-17(22)12-19(18)29-13-15-5-7-16(8-6-15)21(24)25/h3-12,14H,13H2,1-2H3,(H,24,25)