methyl 2-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(2-cyanophenyl)sulfonylpiperazino]methyl]furan-3-carboxylic acid methyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H19N3O5S/c1-25-18(22)15-6-11-26-16(15)13-20-7-9-21(10-8-20)27(23,24)17-5-3-2-4-14(17)12-19/h2-6,11H,7-10,13H2,1H3