(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-sulfamoylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-sulfamoylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H16N2O5S2 MolecularWeight: 440.49214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H16N2O5S2/c22-30(26,27)15-11-9-14(10-12-15)21(25)28-13-20(24)23-16-5-1-3-7-18(16)29-19-8-4-2-6-17(19)23/h1-12H,13H2,(H2,22,26,27)