methyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]propanoate CAS Name: (2R)-2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoate Traditional Name: (2R)-2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]propionic acid methyl ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c1-11(16(21)24-2)18-15(20)13-10-12(6-7-14(13)17)25(22,23)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,20)/t11-/m1/s1