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

Systemtic Name: ethyl 4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzoate Openeye Name: ethyl 4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzoate CAS Name: 4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzoate Traditional Name: 4-(2-nitro-4-piperidinosulfonyl-phenoxy)benzoic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-2-28-20(23)15-6-8-16(9-7-15)29-19-11-10-17(14-18(19)22(24)25)30(26,27)21-12-4-3-5-13-21/h6-11,14H,2-5,12-13H2,1H3