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

Systemtic Name: (2R)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(4-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-nitrophenyl)propionamide Formula: C20H22N5O5S+ MolecularWeight: 444.48418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S/c1-15(20(26)22-17-4-6-18(7-5-17)25(27)28)23-10-12-24(13-11-23)31(29,30)19-8-2-16(14-21)3-9-19/h2-9,15H,10-13H2,1H3,(H,22,26)/p+1/t15-/m1/s1