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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C25H29ClN2O5S MolecularWeight: 505.02616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O5S/c26-22-9-8-21(17-23(22)34(31,32)28-12-4-5-13-28)25(30)33-18-24(29)27-14-10-20(11-15-27)16-19-6-2-1-3-7-19/h1-3,6-9,17,20H,4-5,10-16,18H2