1-(4-methylsulfonyl-2-nitro-phenyl)-4-(2-phenylsulfanylethyl)piperazin-4-ium

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(2-phenylsulfanylethyl)piperazin-4-ium Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(2-phenylsulfanylethyl)piperazin-4-ium CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-[2-(phenylthio)ethyl]piperazin-4-ium IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-(2-phenylsulfanylethyl)piperazin-4-ium Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-[2-(phenylthio)ethyl]piperazin-4-ium Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCSC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCSC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S2/c1-28(25,26)17-7-8-18(19(15-17)22(23)24)21-11-9-20(10-12-21)13-14-27-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3/p+1