3-[[5-methyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[5-methyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[2-[benzenesulfonyl(isopropyl)amino]-5-methyl-phenoxy]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-methylphenoxy]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[2-[besyl(isopropyl)amino]-5-methyl-phenoxy]methyl]-2-thenoic 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=CC=C2)OCC3=C(SC=C3)C(=O)O

Isomeric SMILES

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

InChI

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