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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-methylsulfonylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17NO5S2 MolecularWeight: 439.50408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H17NO5S2/c1-30(26,27)16-12-10-15(11-13-16)22(25)28-14-21(24)23-17-6-2-4-8-19(17)29-20-9-5-3-7-18(20)23/h2-13H,14H2,1H3