2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: N-[(1R)-1-phenylethyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-[(1R)-1-phenylethyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-19(21-10-6-3-7-11-21)23-22(26)18-24-13-15-25(16-14-24)29(27,28)17-12-20-8-4-2-5-9-20/h2-12,17,19H,13-16,18H2,1H3,(H,23,26)/p+1/b17-12+/t19-/m1/s1