(3-methyl-4-nitro-phenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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