ethyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-methyl-5-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C22H32N2O5S/c1-4-29-22(26)18-9-11-23(12-10-18)21(25)20-15-19(6-5-17(20)3)30(27,28)24-13-7-16(2)8-14-24/h5-6,15-16,18H,4,7-14H2,1-3H3