(2-methoxy-5-nitro-phenyl)methyl 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 2-piperidin-1-ylsulfonylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22N2O7S/c1-28-18-10-9-16(22(24)25)13-15(18)14-29-20(23)17-7-3-4-8-19(17)30(26,27)21-11-5-2-6-12-21/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3