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

Systemtic Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [2-[(3-nitrophenyl)methylthio]-4,5-dihydroimidazol-1-yl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-[(3-nitrobenzyl)thio]-2-imidazolin-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c26-20(17-6-8-19(9-7-17)32(29,30)23-11-1-2-12-23)24-13-10-22-21(24)31-15-16-4-3-5-18(14-16)25(27)28/h3-9,14H,1-2,10-13,15H2