(4-nitrophenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-nitrophenyl) 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-nitrophenyl) 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-nitrophenyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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