3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]propyl]-1H-benzimidazol-2-one Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S2/c1-16-9-12-24(13-10-16)33(30,31)17-7-8-21(20(15-17)26(28)29)32-14-4-11-25-19-6-3-2-5-18(19)23-22(25)27/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,23,27)