(4-methyl-2-nitro-phenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-(1-piperidylsulfonyl)benzenesulfonate CAS Name: 4-(1-piperidinylsulfonyl)benzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-piperidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-piperidinosulfonylbenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S2/c1-14-5-10-18(17(13-14)20(21)22)27-29(25,26)16-8-6-15(7-9-16)28(23,24)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3