(3-morpholin-4-ylsulfonylphenyl)methyl (3S)-1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3S)-1-methylsulfonylpiperidine-3-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl (3S)-1-methylsulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-methylsulfonyl-3-piperidinecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl (3S)-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-mesylnipecotic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H26N2O7S2 MolecularWeight: 446.53824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26N2O7S2/c1-28(22,23)20-7-3-5-16(13-20)18(21)27-14-15-4-2-6-17(12-15)29(24,25)19-8-10-26-11-9-19/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3/t16-/m0/s1