[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O5S/c28-24(26-15-11-21(12-16-26)17-20-7-2-1-3-8-20)19-32-25(29)22-9-6-10-23(18-22)33(30,31)27-13-4-5-14-27/h1-3,6-10,18,21H,4-5,11-17,19H2