1-(6-nitropyridin-3-yl)-4-[2-(phenylsulfonyl)ethyl]piperazine

Systemtic Name: 1-(6-nitropyridin-3-yl)-4-[2-(phenylsulfonyl)ethyl]piperazine Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-(2-besylethyl)-4-(6-nitro-3-pyridyl)piperazine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c22-21(23)17-7-6-15(14-18-17)20-10-8-19(9-11-20)12-13-26(24,25)16-4-2-1-3-5-16/h1-7,14H,8-13H2