2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]benzimidazole CAS Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]benzimidazole Traditional Name: 1-benzyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]benzimidazole Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4S/c1-19-11-12-21(30(31)32)17-24(19)35(33,34)28-15-13-27(14-16-28)25-26-22-9-5-6-10-23(22)29(25)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3