1-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)phenyl]ethanone Traditional Name: 1-[3-methoxy-4-(2-nitro-4-piperidinosulfonyl-phenoxy)phenyl]ethanone Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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