[1-(2-chloranylphenothiazin-10-yl)-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(2-chloranylphenothiazin-10-yl)-1-oxidanylidene-propan-2-yl] 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-chlorophenothiazin-10-yl)-1-methyl-2-oxo-ethyl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(2-chloro-10-phenothiazinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chlorophenothiazin-10-yl)-1-oxopropan-2-yl] 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid [2-(2-chlorophenothiazin-10-yl)-2-keto-1-methyl-ethyl] ester Formula: C29H27ClN2O6S2 MolecularWeight: 599.11748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C(=O)C

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)OC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C(=O)C

InChI

InChI=1S/C29H27ClN2O6S2/c1-18(33)21-6-5-7-23(16-21)40(36,37)31-14-12-20(13-15-31)29(35)38-19(2)28(34)32-24-8-3-4-9-26(24)39-27-11-10-22(30)17-25(27)32/h3-11,16-17,19-20H,12-15H2,1-2H3