methyl 4-[(E)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-(4-mesylpiperazino)ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O7S/c1-26-18(23)15-6-3-14(4-7-15)5-8-17(22)27-13-16(21)19-9-11-20(12-10-19)28(2,24)25/h3-8H,9-13H2,1-2H3/b8-5+