methyl 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzoate

Systemtic Name: methyl 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzoate Openeye Name: methyl 4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzoate CAS Name: 4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzoate Traditional Name: 4-(2-nitro-4-piperidinosulfonyl-phenoxy)benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-27-19(22)14-5-7-15(8-6-14)28-18-10-9-16(13-17(18)21(23)24)29(25,26)20-11-3-2-4-12-20/h5-10,13H,2-4,11-12H2,1H3