[4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone Openeye Name: [4-(6-nitro-3-pyridyl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone CAS Name: [4-(6-nitro-3-pyridinyl)-1-piperazinyl]-(2-propylsulfonylphenyl)methanone IUPAC Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-(2-propylsulfonylphenyl)methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-(2-propylsulfonylphenyl)methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-2-13-29(27,28)17-6-4-3-5-16(17)19(24)22-11-9-21(10-12-22)15-7-8-18(20-14-15)23(25)26/h3-8,14H,2,9-13H2,1H3