2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]ethanesulfonic acid Formula: C19H20ClNO6S MolecularWeight: 425.8832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO6S/c1-19(2,18(23)21-11-12-28(24,25)26)27-16-9-5-14(6-10-16)17(22)13-3-7-15(20)8-4-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25,26)