ethyl 3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3,5-dioxo-4-phenethyl-piperazin-1-yl)sulfonylbenzothiophene-2-carboxylate CAS Name: 3-[(3,5-dioxo-4-phenethyl-1-piperazinyl)sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dioxo-4-phenethylpiperazin-1-yl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 3-(3,5-diketo-4-phenethyl-piperazino)sulfonylbenzothiophene-2-carboxylic acid ethyl ester Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O6S2/c1-2-31-23(28)21-22(17-10-6-7-11-18(17)32-21)33(29,30)24-14-19(26)25(20(27)15-24)13-12-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3