ethyl 4-[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C23H28N2O6S2/c1-4-31-23(28)18-5-7-19(8-6-18)33(29,30)25-13-11-24(12-14-25)22(27)10-9-21(26)20-15-16(2)32-17(20)3/h5-8,15H,4,9-14H2,1-3H3