(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: 2-(benzenesulfonamido)-3-methylbutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: 2-(benzenesulfonamido)-3-methyl-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S2/c1-17(2)24(26-34(30,31)18-10-4-3-5-11-18)25(29)32-16-23(28)27-19-12-6-8-14-21(19)33-22-15-9-7-13-20(22)27/h3-15,17,24,26H,16H2,1-2H3