1-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-4-tosyl-piperazine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(N=C(N3CC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-17-8-10-20(11-9-17)32(30,31)25-14-12-24(13-15-25)22-21(27(28)29)23-18(2)26(22)16-19-6-4-3-5-7-19/h3-11H,12-16H2,1-2H3