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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-3-20(2)25-31(29,30)23-13-11-22(12-14-23)24(28)27-18-16-26(17-19-27)15-7-10-21-8-5-4-6-9-21/h4-14,20,25H,3,15-19H2,1-2H3/p+1/b10-7+/t20-/m0/s1