methyl 4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate

Systemtic Name: methyl 4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate Openeye Name: methyl 4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,5-dimethyl-furan-3-carboxylate CAS Name: 4-[[4-(3-cyanophenyl)sulfonyl-1-piperazinyl]sulfonyl]-2,5-dimethyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate Traditional Name: 4-[4-(3-cyanophenyl)sulfonylpiperazino]sulfonyl-2,5-dimethyl-furan-3-carboxylic acid methyl ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N)C(=O)OC

InChI

InChI=1S/C19H21N3O7S2/c1-13-17(19(23)28-3)18(14(2)29-13)31(26,27)22-9-7-21(8-10-22)30(24,25)16-6-4-5-15(11-16)12-20/h4-6,11H,7-10H2,1-3H3