(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-methyl-5-sulfamoyl-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H18N2O5S2/c1-14-10-11-15(31(23,27)28)12-16(14)22(26)29-13-21(25)24-17-6-2-4-8-19(17)30-20-9-5-3-7-18(20)24/h2-12H,13H2,1H3,(H2,23,27,28)