(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H22N2O5S2/c1-30(26,27)22-12-10-15(11-13-22)21(25)28-14-20(24)23-16-6-2-4-8-18(16)29-19-9-5-3-7-17(19)23/h2-9,15H,10-14H2,1H3