(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H23ClN2O5S2 MolecularWeight: 531.04352

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2O5S2/c1-16(2)24(27-35(31,32)18-9-7-8-17(26)14-18)25(30)33-15-23(29)28-19-10-3-5-12-21(19)34-22-13-6-4-11-20(22)28/h3-14,16,24,27H,15H2,1-2H3