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

Systemtic Name: (2S)-N-ethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-(4-tosylpiperazino)acetyl]amino]propionamide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-4-19-18(24)15(3)20-17(23)13-21-9-11-22(12-10-21)27(25,26)16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3,(H,19,24)(H,20,23)/t15-/m0/s1