1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[4-(1-imidazolyl)phenoxy]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonylpiperidine Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c25-24(26)19-14-18(30(27,28)23-11-2-1-3-12-23)8-9-20(19)29-17-6-4-16(5-7-17)22-13-10-21-15-22/h4-10,13-15H,1-3,11-12H2