phenanthridin-6-ylmethyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: phenanthridin-6-ylmethyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: phenanthridin-6-ylmethyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid phenanthridin-6-ylmethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H22N2O4S/c1-28(25,26)23-12-10-15(11-13-23)21(24)27-14-20-18-8-3-2-6-16(18)17-7-4-5-9-19(17)22-20/h2-9,15H,10-14H2,1H3