methyl 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)isonipecotic acid methyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H26N2O5S/c1-14-5-6-16(27(24,25)21-9-3-4-10-21)13-17(14)18(22)20-11-7-15(8-12-20)19(23)26-2/h5-6,13,15H,3-4,7-12H2,1-2H3