7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonyl-heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonylheptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(4-dimethylaminophenyl)sulfonyl-enanthic acid Formula: C21H26ClNO4S MolecularWeight: 423.95344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C21H26ClNO4S/c1-23(2)18-12-14-19(15-13-18)28(26,27)20(21(24)25)7-5-3-4-6-16-8-10-17(22)11-9-16/h8-15,20H,3-7H2,1-2H3,(H,24,25)