(2S)-N-ethyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-2-[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]amino]propanamide IUPAC Name: (2S)-2-[[2-(4-benzylsulfonylpiperazin-1-yl)acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-(4-benzylsulfonylpiperazino)acetyl]amino]-N-ethyl-propionamide Formula: C18H28N4O4S MolecularWeight: 396.50432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-3-19-18(24)15(2)20-17(23)13-21-9-11-22(12-10-21)27(25,26)14-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,19,24)(H,20,23)/t15-/m0/s1