2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-heptan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-heptan-2-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-N-[(2S)-heptan-2-yl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazino]-N-[(1S)-1-methylhexyl]acetamide Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C21H33N3O4S/c1-4-5-6-7-17(2)22-21(26)16-23-12-14-24(15-13-23)29(27,28)20-10-8-19(9-11-20)18(3)25/h8-11,17H,4-7,12-16H2,1-3H3,(H,22,26)/t17-/m0/s1