(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5S/c29-24(27-12-5-2-6-13-27)20-33-25(30)22-10-7-11-23(18-22)34(31,32)28-16-14-26(15-17-28)19-21-8-3-1-4-9-21/h1,3-4,7-11,18H,2,5-6,12-17,19-20H2