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

Systemtic Name: 4-nitro-N-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide CAS Name: 4-nitro-N-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]-4-nitro-benzenesulfonamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c25-24(26)19-7-9-20(10-8-19)29(27,28)21-11-4-12-22-13-15-23(16-14-22)17-18-5-2-1-3-6-18/h1-3,5-10,21H,4,11-17H2/p+1