methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidin-2-yl]carbonyl-ethyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidin-2-yl]carbonyl-ethyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 2-[[2-(butylsulfonylamino)-1-phenyl-piperidine-2-carbonyl]-ethyl-amino]cyclohexanecarboxylate CAS Name: 2-[[[2-(butylsulfonylamino)-1-phenyl-2-piperidinyl]-oxomethyl]-ethylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(butylsulfonylamino)-1-phenylpiperidine-2-carbonyl]-ethylamino]cyclohexane-1-carboxylate Traditional Name: 2-[[2-(butylsulfonylamino)-1-phenyl-pipecoloyl]-ethyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C26H41N3O5S MolecularWeight: 507.68584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3CCCCC3C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)NC1(CCCCN1C2=CC=CC=C2)C(=O)N(CC)C3CCCCC3C(=O)OC

InChI

InChI=1S/C26H41N3O5S/c1-4-6-20-35(32,33)27-26(18-12-13-19-29(26)21-14-8-7-9-15-21)25(31)28(5-2)23-17-11-10-16-22(23)24(30)34-3/h7-9,14-15,22-23,27H,4-6,10-13,16-20H2,1-3H3