4-ethyl-N-(4-methylphenyl)sulfonyl-N-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(E)-cinnamyl]-4-ethyl-N-(p-tolylsulfonyl)piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-(4-methylphenyl)sulfonyl-N-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(E)-cinnamyl]-4-ethyl-N-tosyl-piperazin-4-ium-1-carboxamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)N(CC=CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)N(C/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O3S/c1-3-24-16-18-25(19-17-24)23(27)26(15-7-10-21-8-5-4-6-9-21)30(28,29)22-13-11-20(2)12-14-22/h4-14H,3,15-19H2,1-2H3/p+1/b10-7+