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

Systemtic Name: 3-[[5-chloranyl-2-[phenylsulfonyl(propan-2-yl)amino]phenoxy]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[2-[benzenesulfonyl(isopropyl)amino]-5-chloro-phenoxy]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-chlorophenoxy]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[benzenesulfonyl(propan-2-yl)amino]-5-chlorophenoxy]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[2-[besyl(isopropyl)amino]-5-chloro-phenoxy]methyl]-2-thenoic acid Formula: C21H20ClNO5S2 MolecularWeight: 465.9702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5S2/c1-14(2)23(30(26,27)17-6-4-3-5-7-17)18-9-8-16(22)12-19(18)28-13-15-10-11-29-20(15)21(24)25/h3-12,14H,13H2,1-2H3,(H,24,25)