2-(benzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(benzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(benzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(1-benzimidazolyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(benzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzimidazol-1-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O5S/c1-15(24-14-21-18-7-2-3-8-19(18)24)20(26)22-9-11-23(12-10-22)31(29,30)17-6-4-5-16(13-17)25(27)28/h2-8,13-15H,9-12H2,1H3