(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfamoyl]benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoate CAS Name: 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(5-chloro-2,4-dimethoxy-phenyl)sulfamoyl]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C29H23ClN2O7S2 MolecularWeight: 611.08512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)Cl)OC

InChI

InChI=1S/C29H23ClN2O7S2/c1-37-24-16-25(38-2)21(15-20(24)30)31-41(35,36)19-9-7-8-18(14-19)29(34)39-17-28(33)32-22-10-3-5-12-26(22)40-27-13-6-4-11-23(27)32/h3-16,31H,17H2,1-2H3