N-[(2S)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]-N-phenyl-methanesulfonamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]-N-phenyl-methanesulfonamide Openeye Name: N-[(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]-N-phenyl-methanesulfonamide CAS Name: N-[(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propan-2-yl]-N-phenylmethanesulfonamide IUPAC Name: N-[(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]-N-phenylmethanesulfonamide Traditional Name: N-[(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]-N-phenyl-methanesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)N(C3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)N(C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O3S/c1-20(26(30(2,28)29)22-13-7-4-8-14-22)23(27)25-18-16-24(17-19-25)15-9-12-21-10-5-3-6-11-21/h3-14,20H,15-19H2,1-2H3/p+1/b12-9+/t20-/m0/s1