1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(E)-cinnamyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(E)-cinnamyl]-4-(4-pyrrolidinosulfonylphenyl)sulfonyl-piperazin-1-ium Formula: C23H30N3O4S2+ MolecularWeight: 476.632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4S2/c27-31(28,25-15-4-5-16-25)22-10-12-23(13-11-22)32(29,30)26-19-17-24(18-20-26)14-6-9-21-7-2-1-3-8-21/h1-3,6-13H,4-5,14-20H2/p+1/b9-6+