1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-28-20-10-9-18(16-19(20)23(24)25)29(26,27)22-14-12-21(13-15-22)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/p+1/b8-5+