5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-nitro-benzenesulfonamide CAS Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]benzenesulfonamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5-nitro-benzenesulfonamide Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S/c20-28(26,27)19-15-17(23(24)25)8-9-18(19)22-13-11-21(12-14-22)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H2,20,26,27)/p+1/b7-4+