5-chloranyl-2-(2-methylsulfonyloxyethyl)-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-methylsulfonyloxyethyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(2-methylsulfonyloxyethyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(2-methylsulfonyloxyethyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(2-methylsulfonyloxyethyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(2-methylsulfonyloxyethyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClNO5S/c1-26(23,24)25-10-9-20-16(12-5-3-2-4-6-12)15-11-13(19)7-8-14(15)17(20)18(21)22/h2-8,11H,9-10H2,1H3,(H,21,22)