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

Systemtic Name: ethyl 2-[[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetate CAS Name: 2-[[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetate Traditional Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetic acid ethyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-4-29-18(25)11-23-21(26)19-20(16-10-14(22)5-6-17(16)24-19)30(27,28)15-8-12(2)7-13(3)9-15/h5-10,24H,4,11H2,1-3H3,(H,23,26)