phenyl 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(6-nitro-3-pyridyl)piperazino]ethanesulfonic acid phenyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c22-21(23)17-7-6-15(14-18-17)20-10-8-19(9-11-20)12-13-27(24,25)26-16-4-2-1-3-5-16/h1-7,14H,8-13H2