(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H23ClN2O5S/c19-15-7-6-14(18(23)26-13-17(22)20-8-4-5-9-20)12-16(15)27(24,25)21-10-2-1-3-11-21/h6-7,12H,1-5,8-11,13H2