[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H31ClN2O5S MolecularWeight: 519.05274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H31ClN2O5S/c27-23-10-9-22(18-24(23)35(32,33)29-13-5-2-6-14-29)26(31)34-19-25(30)28-15-11-21(12-16-28)17-20-7-3-1-4-8-20/h1,3-4,7-10,18,21H,2,5-6,11-17,19H2