ethyl (3S)-1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-methyl-5-piperidinosulfonyl-benzoyl)nipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)17-8-7-11-22(15-17)20(24)19-14-18(10-9-16(19)2)29(26,27)23-12-5-4-6-13-23/h9-10,14,17H,3-8,11-13,15H2,1-2H3/t17-/m0/s1