(3-methyl-4-nitro-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methyl-4-nitro-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-methyl-4-nitro-phenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-methyl-4-nitrophenyl) ester IUPAC Name: (3-methyl-4-nitrophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-methyl-4-nitro-phenyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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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-])C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14-6-7-16(13-19(14)29(26,27)21-10-4-3-5-11-21)20(23)28-17-8-9-18(22(24)25)15(2)12-17/h6-9,12-13H,3-5,10-11H2,1-2H3