(3-acetamidophenyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (3-acetamidophenyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (3-acetamidophenyl) 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid (3-acetamidophenyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O5S/c1-12(21)19-15-4-3-5-16(11-15)25-18(22)14-6-7-17-13(10-14)8-9-20(17)26(2,23)24/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)