1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]piperazin-4-ium

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]piperazin-4-ium Openeye Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]piperazin-4-ium CAS Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furanyl)ethenyl]piperazin-4-ium IUPAC Name: 1-(4-bromo-3-methylphenyl)sulfonyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]piperazin-4-ium Traditional Name: 1-(4-bromo-3-methyl-phenyl)sulfonyl-4-[(E)-2-(5-nitro-2-furyl)vinyl]piperazin-4-ium Formula: C17H19BrN3O5S+ MolecularWeight: 457.31886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C=CC3=CC=C(O3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)/C=C/C3=CC=C(O3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H18BrN3O5S/c1-13-12-15(3-4-16(13)18)27(24,25)20-10-8-19(9-11-20)7-6-14-2-5-17(26-14)21(22)23/h2-7,12H,8-11H2,1H3/p+1/b7-6+