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

Systemtic Name: ethyl 3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoate Openeye Name: ethyl 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoate CAS Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoate Traditional Name: 3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propionic acid ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(N1)C=CC(=C2)Cl)S(=O)(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(N1)C=CC(=C2)Cl)S(=O)(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22ClNO4S/c1-4-27-20(24)8-7-19-21(17-12-15(22)5-6-18(17)23-19)28(25,26)16-10-13(2)9-14(3)11-16/h5-6,9-12,23H,4,7-8H2,1-3H3