ethyl 4-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-oxochromene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-ketochromene-2-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H22N2O7S MolecularWeight: 470.49498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H22N2O7S/c1-2-31-23(28)16-7-9-17(10-8-16)33(29,30)25-13-11-24(12-14-25)22(27)21-15-19(26)18-5-3-4-6-20(18)32-21/h3-10,15H,2,11-14H2,1H3