2-(2,6-dimethylphenoxy)-N-[(2S,3S)-4-[[4-(2-ethylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-(2,6-dimethylphenoxy)-N-[(2S,3S)-4-[[4-(2-ethylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]ethanamide Openeye Name: N-[(1S,2S)-1-benzyl-3-[[4-(2-ethylpyrazol-3-yl)phenyl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide CAS Name: 2-(2,6-dimethylphenoxy)-N-[(2S,3S)-4-[[4-(2-ethyl-3-pyrazolyl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-(2,6-dimethylphenoxy)-N-[(2S,3S)-4-[[4-(2-ethylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S,2S)-1-benzyl-3-[[4-(2-ethylpyrazol-3-yl)phenyl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide Formula: C35H44N4O5S MolecularWeight: 632.81266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C2=CC=C(C=C2)S(=O)(=O)N(CC(C)C)CC(C(CC3=CC=CC=C3)NC(=O)COC4=C(C=CC=C4C)C)O

Isomeric SMILES

CCN1C(=CC=N1)C2=CC=C(C=C2)S(=O)(=O)N(C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)COC4=C(C=CC=C4C)C)O)CC(C)C

InChI

InChI=1S/C35H44N4O5S/c1-6-39-32(19-20-36-39)29-15-17-30(18-16-29)45(42,43)38(22-25(2)3)23-33(40)31(21-28-13-8-7-9-14-28)37-34(41)24-44-35-26(4)11-10-12-27(35)5/h7-20,25,31,33,40H,6,21-24H2,1-5H3,(H,37,41)/t31-,33-/m0/s1