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

Systemtic Name: methyl (2S)-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)18(14-15-6-3-2-4-7-15)21-28(25,26)17-11-9-16(10-12-17)22-13-5-8-19(22)23/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3/t18-/m0/s1