N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-ethyl-2-[(4-methylsulfonyl-1-piperazinyl)methyl]-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-ethyl-2-[(4-mesylpiperazino)methyl]benzimidazol-5-yl]-4-nitro-benzamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H26N6O5S/c1-3-27-20-9-6-17(23-22(29)16-4-7-18(8-5-16)28(30)31)14-19(20)24-21(27)15-25-10-12-26(13-11-25)34(2,32)33/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,29)