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

Systemtic Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-isopropyl-benzenesulfonamide CAS Name: 4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-isopropyl-benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-19(2)24-30(28,29)22-12-10-21(11-13-22)23(27)26-17-15-25(16-18-26)14-6-9-20-7-4-3-5-8-20/h3-13,19,24H,14-18H2,1-2H3/p+1/b9-6+