ethyl 4-(4-pyridin-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: ethyl 4-(4-pyridin-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(pyridine-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-picolinoylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-2-27-19(24)15-6-8-16(9-7-15)28(25,26)22-13-11-21(12-14-22)18(23)17-5-3-4-10-20-17/h3-10H,2,11-14H2,1H3