[2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]-(4-piperidinosulfonylphenyl)methanone Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c27-21(18-7-9-20(10-8-18)33(30,31)24-12-2-1-3-13-24)25-14-11-23-22(25)32-16-17-5-4-6-19(15-17)26(28)29/h4-10,15H,1-3,11-14,16H2