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

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3S/c30-25(26-23-10-12-24(13-11-23)33(31,32)29-15-4-5-16-29)21-28-19-17-27(18-20-28)14-6-9-22-7-2-1-3-8-22/h1-3,6-13H,4-5,14-21H2,(H,26,30)/p+1/b9-6+