1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-(1-methylimidazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-(1-methylimidazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-(1-methylimidazol-4-yl)sulfonyl-piperazine CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)-4-nitrophenyl]-4-[(1-methyl-4-imidazolyl)sulfonyl]piperazine IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitrophenyl]-4-(1-methylimidazol-4-yl)sulfonylpiperazine Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4-nitro-phenyl]-4-(1-methylimidazol-4-yl)sulfonyl-piperazine Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CN(C=N4)C)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CN(C=N4)C)C

InChI

InChI=1S/C20H24N6O4S/c1-15-4-5-16(2)25(15)19-12-17(26(27)28)6-7-18(19)23-8-10-24(11-9-23)31(29,30)20-13-22(3)14-21-20/h4-7,12-14H,8-11H2,1-3H3