ethyl 4-[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

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