(2R)-N-(3-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-nitrophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-nitrophenyl)-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-17(21(26)22-19-8-5-9-20(16-19)25(27)28)23-11-13-24(14-12-23)31(29,30)15-10-18-6-3-2-4-7-18/h2-10,15-17H,11-14H2,1H3,(H,22,26)/p+1/b15-10+/t17-/m1/s1