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

Systemtic Name: 1-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C23H26N5O4S2+ MolecularWeight: 500.61364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C(N3C4CC4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=C(N3C4CC4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S2/c1-25-11-13-26(14-12-25)34(31,32)19-9-10-22(20(15-19)28(29)30)33-23-24-16-21(27(23)18-7-8-18)17-5-3-2-4-6-17/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3/p+1