2-(benzimidazol-1-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(benzimidazol-1-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(benzimidazol-1-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(1-benzimidazolyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(benzimidazol-1-yl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzimidazol-1-yl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propan-1-one Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6S/c1-15(25-14-22-17-5-3-4-6-18(17)25)21(27)23-9-11-24(12-10-23)33(30,31)16-7-8-20(32-2)19(13-16)26(28)29/h3-8,13-15H,9-12H2,1-2H3