(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H28N2O5S2 MolecularWeight: 536.66232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C28H28N2O5S2/c1-19-14-20(2)17-29(16-19)37(33,34)22-9-7-8-21(15-22)28(32)35-18-27(31)30-23-10-3-5-12-25(23)36-26-13-6-4-11-24(26)30/h3-13,15,19-20H,14,16-18H2,1-2H3