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

Systemtic Name: 2-[[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]propionic acid Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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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)C(=O)NC(C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5S/c1-10-6-11(2)8-14(7-10)29(27,28)18-15-9-13(21)4-5-16(15)23-17(18)19(24)22-12(3)20(25)26/h4-9,12,23H,1-3H3,(H,22,24)(H,25,26)