2-[4-(4-chlorophenyl)carbonylphenoxy]-2-(2-methylpropanoylamino)ethanesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CS(=O)(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(=O)NC(CS(=O)(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

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