methyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-[4-(2-pyridyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-[4-(2-pyridyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H19N3O4S/c1-24-17(21)14-5-7-15(8-6-14)25(22,23)20-12-10-19(11-13-20)16-4-2-3-9-18-16/h2-9H,10-13H2,1H3