pyridin-2-ylmethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: pyridin-2-ylmethyl 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 2-pyridylmethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid 2-pyridylmethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C24H25N3O4S/c28-24(31-19-22-10-4-5-12-25-22)21-9-6-11-23(17-21)32(29,30)27-15-13-26(14-16-27)18-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2