N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]-1-mesyl-isonipecotamide Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3=O

InChI

InChI=1S/C18H25N3O5S/c1-26-16-6-5-14(12-15(16)21-9-3-4-17(21)22)19-18(23)13-7-10-20(11-8-13)27(2,24)25/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,19,23)