methyl (2S)-2-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(2-oxo-1-piperidyl)phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(2-oxo-1-piperidinyl)phenyl]sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(2-ketopiperidino)phenyl]sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C21H24N2O5S/c1-28-21(25)19(15-16-7-3-2-4-8-16)22-29(26,27)18-12-10-17(11-13-18)23-14-6-5-9-20(23)24/h2-4,7-8,10-13,19,22H,5-6,9,14-15H2,1H3/t19-/m0/s1