phenanthridin-6-ylmethyl 2-methylsulfonylbenzoate

Systemtic Name: phenanthridin-6-ylmethyl 2-methylsulfonylbenzoate Openeye Name: phenanthridin-6-ylmethyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid phenanthridin-6-ylmethyl ester Formula: C22H17NO4S MolecularWeight: 391.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C22H17NO4S/c1-28(25,26)21-13-7-5-11-18(21)22(24)27-14-20-17-10-3-2-8-15(17)16-9-4-6-12-19(16)23-20/h2-13H,14H2,1H3