methyl 3-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]propanoate

Systemtic Name: methyl 3-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]propanoate Openeye Name: methyl 3-[[2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[1-(benzenesulfonyl)-3-oxo-2-piperazinyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-(1-besyl-3-keto-piperazin-2-yl)acetyl]amino]propionic acid methyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCNC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O6S/c1-25-15(21)7-8-17-14(20)11-13-16(22)18-9-10-19(13)26(23,24)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,20)(H,18,22)