(1-methylsulfonylpiperidin-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-methylsulfonylpiperidin-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-methylsulfonyl-3-piperidyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-methylsulfonyl-3-piperidinyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-methylsulfonylpiperidin-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-mesyl-3-piperidyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H24N4O7S2 MolecularWeight: 460.52506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O7S2/c1-29(25,26)20-8-4-5-14(13-20)17(22)18-9-11-19(12-10-18)30(27,28)16-7-3-2-6-15(16)21(23)24/h2-3,6-7,14H,4-5,8-13H2,1H3