1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperidine

Systemtic Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 1-[4-[4-(1-imidazolyl)phenoxy]-3-nitrophenyl]sulfonyl-4-methylpiperidine IUPAC Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperidine Traditional Name: 1-[4-(4-imidazol-1-ylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-16-8-11-24(12-9-16)31(28,29)19-6-7-21(20(14-19)25(26)27)30-18-4-2-17(3-5-18)23-13-10-22-15-23/h2-7,10,13-16H,8-9,11-12H2,1H3