(4-nitrophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-nitrophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-nitrophenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-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)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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