[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyclopentylethanoate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyclopentylethanoate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2CCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2CCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H30N2O6S/c1-28-18-10-9-17(14-19(18)30(26,27)23-11-5-2-6-12-23)22-20(24)15-29-21(25)13-16-7-3-4-8-16/h9-10,14,16H,2-8,11-13,15H2,1H3,(H,22,24)