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

Systemtic Name: 4-[[5-methyl-2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[isopropyl(2-thienylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-methyl-2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-methyl-2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[isopropyl(2-thienylsulfonyl)amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CS2)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C(C)C)S(=O)(=O)C2=CC=CS2)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23NO5S2/c1-15(2)23(30(26,27)21-5-4-12-29-21)19-11-6-16(3)13-20(19)28-14-17-7-9-18(10-8-17)22(24)25/h4-13,15H,14H2,1-3H3,(H,24,25)