(2R)-N-(4-cyanophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-18(22(27)24-21-9-7-20(17-23)8-10-21)25-12-14-26(15-13-25)30(28,29)16-11-19-5-3-2-4-6-19/h2-11,16,18H,12-15H2,1H3,(H,24,27)/p+1/b16-11+/t18-/m1/s1