(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-phenyl-1-piperazinyl)sulfonyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-phenylpiperazino)sulfonylbenzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C23H27N3O6S MolecularWeight: 473.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C23H27N3O6S/c27-22(25-13-15-31-16-14-25)18-32-23(28)19-5-4-8-21(17-19)33(29,30)26-11-9-24(10-12-26)20-6-2-1-3-7-20/h1-8,17H,9-16,18H2