ethyl 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-methylpiperidino)sulfonylbenzoyl]isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)18-11-14-22(15-12-18)20(24)17-7-9-19(10-8-17)29(26,27)23-13-5-4-6-16(23)2/h7-10,16,18H,3-6,11-15H2,1-2H3