phenanthridin-6-ylmethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid phenanthridin-6-ylmethyl ester Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C24H20N2O4S/c1-31(28,29)26-13-12-16-14-17(10-11-23(16)26)24(27)30-15-22-20-8-3-2-6-18(20)19-7-4-5-9-21(19)25-22/h2-11,14H,12-13,15H2,1H3