N-methyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-methyl-3-nitro-benzenesulfonamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-19-27(25,26)16-7-8-17(18(13-16)22(23)24)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3/p+1