methyl 1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-methyl-3-piperidinosulfonyl-benzoyl)isonipecotic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-15-6-7-17(14-18(15)28(25,26)22-10-4-3-5-11-22)19(23)21-12-8-16(9-13-21)20(24)27-2/h6-7,14,16H,3-5,8-13H2,1-2H3