[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]-(4-methylsulfonylpiperazin-1-yl)methanone CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-(4-methylsulfonyl-1-piperazinyl)methanone IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone Traditional Name: (4-mesylpiperazino)-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C18H26N4O7S2 MolecularWeight: 474.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H26N4O7S2/c1-14-3-4-16(22(24)25)13-17(14)31(28,29)21-7-5-15(6-8-21)18(23)19-9-11-20(12-10-19)30(2,26)27/h3-4,13,15H,5-12H2,1-2H3