2-[1-(3-chloranyl-4-methyl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-(3-chloro-4-methylphenyl)sulfonyl-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC=C3)CC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C3=C2N=CC=C3)CC(=O)O)C)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-10-5-6-12(8-15(10)18)25(23,24)20-11(2)14(9-16(21)22)13-4-3-7-19-17(13)20/h3-8H,9H2,1-2H3,(H,21,22)