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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)N(C(C)C)S(=O)(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)N(C(C)C)S(=O)(=O)C3=CC=CO3

InChI

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