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

Systemtic Name: ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-pyridyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-[4-(2-pyridyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-2-25-18(22)15-6-8-16(9-7-15)26(23,24)21-13-11-20(12-14-21)17-5-3-4-10-19-17/h3-10H,2,11-14H2,1H3