3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid Openeye Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid CAS Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid IUPAC Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid Traditional Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propionic acid Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)CCC(=O)O)C

InChI

InChI=1S/C19H18ClNO4S/c1-11-7-12(2)9-14(8-11)26(24,25)19-15-10-13(20)3-4-16(15)21-17(19)5-6-18(22)23/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,23)