2-[6-chloranyl-1-(4-methylsulfonylphenyl)carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-1-(4-methylsulfonylphenyl)carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-1-(4-methylsulfonylbenzoyl)indol-3-yl]acetic acid CAS Name: 2-[6-chloro-1-[(4-methylsulfonylphenyl)-oxomethyl]-3-indolyl]acetic acid IUPAC Name: 2-[6-chloro-1-(4-methylsulfonylbenzoyl)indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-1-(4-mesylbenzoyl)indol-3-yl]acetic acid Formula: C18H14ClNO5S MolecularWeight: 391.82546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C=C(C3=C2C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C=C(C3=C2C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H14ClNO5S/c1-26(24,25)14-5-2-11(3-6-14)18(23)20-10-12(8-17(21)22)15-7-4-13(19)9-16(15)20/h2-7,9-10H,8H2,1H3,(H,21,22)