N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H30N4O3S/c1-3-4-17-5-9-19(10-6-17)29(27,28)25-13-11-24(12-14-25)15-20(26)23-21(2,16-22)18-7-8-18/h5-6,9-10,18H,3-4,7-8,11-15H2,1-2H3,(H,23,26)/p+1/t21-/m1/s1