methyl 2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(5-cyano-2-pyridyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(5-cyano-2-pyridyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4O4S/c1-26-18(23)15-4-2-3-5-16(15)27(24,25)22-10-8-21(9-11-22)17-7-6-14(12-19)13-20-17/h2-7,13H,8-11H2,1H3