[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl] ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O5S2/c1-31(27,28)23-10-8-14(9-11-23)21(26)29-13-20(25)24-16-4-2-3-5-18(16)30-19-7-6-15(22)12-17(19)24/h2-7,12,14H,8-11,13H2,1H3