ethyl 4-[4-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C25H28N2O6S/c1-4-32-25(29)19-5-7-21(8-6-19)34(30,31)27-11-9-26(10-12-27)16-20-15-24(28)33-23-14-18(3)17(2)13-22(20)23/h5-8,13-15H,4,9-12,16H2,1-3H3