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

Systemtic Name: 5-chloranyl-2-(3-methylsulfonyloxypropyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(3-methylsulfonyloxypropyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(3-methylsulfonyloxypropyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(3-methylsulfonyloxypropyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(3-methylsulfonyloxypropyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OCCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClNO5S/c1-27(24,25)26-11-5-10-21-17(13-6-3-2-4-7-13)16-12-14(20)8-9-15(16)18(21)19(22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,23)