5-[(4-cyanophenyl)sulfonylamino]-2-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide

Systemtic Name: 5-[(4-cyanophenyl)sulfonylamino]-2-[2-oxidanylidene-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-2-[2-[[(1S,2S)-2-benzyloxycyclohexyl]amino]-2-oxo-ethyl]-5-[(4-cyanophenyl)sulfonylamino]pyrazole-3-carboxamide CAS Name: 5-[(4-cyanophenyl)sulfonylamino]-2-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-pyrazolecarboxamide IUPAC Name: 5-[(4-cyanophenyl)sulfonylamino]-2-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrazole-3-carboxamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-2-[2-[[(1S,2S)-2-benzoxycyclohexyl]amino]-2-keto-ethyl]-5-[(4-cyanophenyl)sulfonylamino]pyrazole-3-carboxamide Formula: C39H44N6O6S MolecularWeight: 724.86826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)CN2C(=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)NC4CCCCC4OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)CN2C(=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)C#N)C(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H44N6O6S/c40-24-28-19-21-31(22-20-28)52(48,49)44-37-23-34(39(47)42-33-16-8-10-18-36(33)51-27-30-13-5-2-6-14-30)45(43-37)25-38(46)41-32-15-7-9-17-35(32)50-26-29-11-3-1-4-12-29/h1-6,11-14,19-23,32-33,35-36H,7-10,15-18,25-27H2,(H,41,46)(H,42,47)(H,43,44)/t32-,33-,35-,36-/m0/s1