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

Systemtic Name: 2-[[5-chloranyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetic acid CAS Name: 2-[[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetic acid Traditional Name: 2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetic acid Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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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)NCC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S/c1-10-5-11(2)7-13(6-10)28(26,27)18-14-8-12(20)3-4-15(14)22-17(18)19(25)21-9-16(23)24/h3-8,22H,9H2,1-2H3,(H,21,25)(H,23,24)