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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H22N2O5S3 MolecularWeight: 514.63688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N2O5S3/c27-22(26-18-6-1-3-8-20(18)33-21-9-4-2-7-19(21)26)16-31-24(28)17-11-13-25(14-12-17)34(29,30)23-10-5-15-32-23/h1-10,15,17H,11-14,16H2