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

Systemtic Name: 5-[(4-methoxyphenyl)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-methoxyphenyl)sulfonylamino]pyrazole-3-carboxamide CAS Name: 5-[(4-methoxyphenyl)sulfonylamino]-2-[2-oxo-2-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]ethyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]-3-pyrazolecarboxamide IUPAC Name: 5-[(4-methoxyphenyl)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-methoxyphenyl)sulfonylamino]pyrazole-3-carboxamide Formula: C39H47N5O7S MolecularWeight: 729.88478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)C(=O)NC3CCCCC3OCC4=CC=CC=C4)CC(=O)NC5CCCCC5OCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C(=C2)C(=O)N[C@H]3CCCC[C@@H]3OCC4=CC=CC=C4)CC(=O)N[C@H]5CCCC[C@@H]5OCC6=CC=CC=C6

InChI

InChI=1S/C39H47N5O7S/c1-49-30-20-22-31(23-21-30)52(47,48)43-37-24-34(39(46)41-33-17-9-11-19-36(33)51-27-29-14-6-3-7-15-29)44(42-37)25-38(45)40-32-16-8-10-18-35(32)50-26-28-12-4-2-5-13-28/h2-7,12-15,20-24,32-33,35-36H,8-11,16-19,25-27H2,1H3,(H,40,45)(H,41,46)(H,42,43)/t32-,33-,35-,36-/m0/s1