methyl 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanoate Openeye Name: methyl 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]acetate CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]acetate Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]acetic acid methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-28-20(23)13-15-5-7-16(8-6-15)29-19-10-9-17(14-18(19)22(24)25)30(26,27)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3