N-[azanyl-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methyl]nitramide

Systemtic Name: N-[azanyl-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methyl]nitramide Openeye Name: N-[amino-[4-(p-tolylsulfonyl)piperazin-1-ium-1-ylidene]methyl]nitramide CAS Name: N-[amino-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumylidene]methyl]nitramide IUPAC Name: N-[amino-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-ylidene]methyl]nitramide Traditional Name: N-[amino-(4-tosylpiperazin-1-ium-1-ylidene)methyl]nitramide Formula: C12H18N5O4S+ MolecularWeight: 328.36742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4S/c1-10-2-4-11(5-3-10)22(20,21)16-8-6-15(7-9-16)12(13)14-17(18)19/h2-5H,6-9H2,1H3,(H2,13,14)/p+1