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

Systemtic Name: ethyl 2-[[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]carbonylamino]propanoate Openeye Name: ethyl 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propanoate CAS Name: 2-[[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propanoate Traditional Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propionic acid ethyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)S(=O)(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)S(=O)(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H23ClN2O5S/c1-5-30-22(27)14(4)24-21(26)19-20(17-11-15(23)6-7-18(17)25-19)31(28,29)16-9-12(2)8-13(3)10-16/h6-11,14,25H,5H2,1-4H3,(H,24,26)