methyl (2S)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-piperidinosulfonylbenzoyl)amino]butyric acid methyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O5S2/c1-25-18(22)16(9-12-26-2)19-17(21)14-7-6-8-15(13-14)27(23,24)20-10-4-3-5-11-20/h6-8,13,16H,3-5,9-12H2,1-2H3,(H,19,21)/t16-/m0/s1