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

Systemtic Name: phenanthridin-6-ylmethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: phenanthridin-6-ylmethyl 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid phenanthridin-6-ylmethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C25H22N2O4S/c1-16-13-18-14-17(11-12-24(18)27(16)32(2,29)30)25(28)31-15-23-21-9-4-3-7-19(21)20-8-5-6-10-22(20)26-23/h3-12,14,16H,13,15H2,1-2H3