(4-piperidin-1-ylcarbonylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-piperidin-1-ylcarbonylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-(piperidine-1-carbonyl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[oxo(1-piperidinyl)methyl]phenyl] ester IUPAC Name: [4-(piperidine-1-carbonyl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-(piperidine-1-carbonyl)phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C19H20N2O6S/c1-14-5-8-16(21(23)24)13-18(14)28(25,26)27-17-9-6-15(7-10-17)19(22)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12H2,1H3