methyl 1-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(2-ketopyrrolidino)-3-methyl-phenyl]sulfonylisonipecotic acid methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC)N3CCCC3=O

InChI

InChI=1S/C18H24N2O5S/c1-13-12-15(5-6-16(13)20-9-3-4-17(20)21)26(23,24)19-10-7-14(8-11-19)18(22)25-2/h5-6,12,14H,3-4,7-11H2,1-2H3