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

Systemtic Name: 1-methyl-4-[4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[(1-methyl-5-phenyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[(1-methyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-phenyl]sulfonyl-piperazine Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C(N3C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C(N3C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S2/c1-23-10-12-25(13-11-23)32(29,30)17-8-9-20(18(14-17)26(27)28)31-21-22-15-19(24(21)2)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3