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

Systemtic Name: 2-[3-[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoylamino]ethanoic acid Openeye Name: 2-[3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoylamino]acetic acid CAS Name: 2-[[3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoylamino]acetic acid Traditional Name: 2-[3-[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]propanoylamino]acetic acid Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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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)NCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-12-7-13(2)9-15(8-12)30(28,29)21-16-10-14(22)3-4-17(16)24-18(21)5-6-19(25)23-11-20(26)27/h3-4,7-10,24H,5-6,11H2,1-2H3,(H,23,25)(H,26,27)