3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-3-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxyindol-3-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]-2,2-dimethyl-propionic acid Formula: C20H19Cl2NO5S MolecularWeight: 456.33956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)(CC1=CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H19Cl2NO5S/c1-20(2,19(24)25)10-12-11-23(18-7-4-13(28-3)8-15(12)18)29(26,27)14-5-6-16(21)17(22)9-14/h4-9,11H,10H2,1-3H3,(H,24,25)