[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C20H25N3O5S/c1-15-6-7-16(29(26,27)23-10-4-5-11-23)12-17(15)19(25)28-13-18(24)22-20(14-21)8-2-3-9-20/h6-7,12H,2-5,8-11,13H2,1H3,(H,22,24)