[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] cyclopentanecarboxylate Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3CCCC3

InChI

InChI=1S/C20H28N2O6S/c1-27-18-10-9-16(29(25,26)22-11-5-2-6-12-22)13-17(18)21-19(23)14-28-20(24)15-7-3-4-8-15/h9-10,13,15H,2-8,11-12,14H2,1H3,(H,21,23)