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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorobenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-chloro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C25H25ClN2O5S MolecularWeight: 500.9944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CN4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CN4)Cl

InChI

InChI=1S/C25H25ClN2O5S/c26-21-9-8-20(25(30)33-17-23(29)22-7-4-12-27-22)16-24(21)34(31,32)28-13-10-19(11-14-28)15-18-5-2-1-3-6-18/h1-9,12,16,19,27H,10-11,13-15,17H2