N-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-methyl-benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-methyl-benzenesulfonamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-22-28(26,27)20-11-5-10-19(17-20)21(25)24-15-13-23(14-16-24)12-6-9-18-7-3-2-4-8-18/h2-11,17,22H,12-16H2,1H3/p+1/b9-6+