[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC(C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H21N3O5S/c19-12-15-4-1-2-7-16(15)27(24,25)21-10-8-20(9-11-21)17(22)13-26-18(23)14-5-3-6-14/h1-2,4,7,14H,3,5-6,8-11,13H2