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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-16(2)17-4-8-19(9-5-17)29(27,28)25-12-10-24(11-13-25)14-20(26)23-21(3,15-22)18-6-7-18/h4-5,8-9,16,18H,6-7,10-14H2,1-3H3,(H,23,26)/p+1/t21-/m1/s1