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

Systemtic Name: methyl 3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S2/c1-30-22(27)20-21(16-9-5-6-10-17(16)31-20)32(28,29)23-13-18(25)24(19(26)14-23)12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3