N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(4-propylphenyl)sulfonylpiperazino]acetamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C21H32N4O3S/c1-5-6-18-7-9-19(10-8-18)29(27,28)25-13-11-24(12-14-25)15-20(26)23-21(4,16-22)17(2)3/h7-10,17H,5-6,11-15H2,1-4H3,(H,23,26)/t21-/m1/s1