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

Systemtic Name: 3-methyl-4-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]-N-propyl-benzenesulfonamide Openeye Name: 4-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]-3-methyl-N-propyl-benzenesulfonamide CAS Name: 3-methyl-4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethoxy]-N-propylbenzenesulfonamide IUPAC Name: 3-methyl-4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethoxy]-N-propylbenzenesulfonamide Traditional Name: 4-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethoxy]-3-methyl-N-propyl-benzenesulfonamide Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-3-13-26-33(30,31)23-11-12-24(21(2)19-23)32-20-25(29)28-17-15-27(16-18-28)14-7-10-22-8-5-4-6-9-22/h4-12,19,26H,3,13-18,20H2,1-2H3/p+1/b10-7+