[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H28N2O5S/c1-15-10-16(2)13-21(12-15)19(23)14-27-20(24)17-6-5-7-18(11-17)28(25,26)22-8-3-4-9-22/h5-7,11,15-16H,3-4,8-10,12-14H2,1-2H3