N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-[2,2,2-tris(fluoranyl)ethyl]amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-[2,2,2-tris(fluoranyl)ethyl]amino]propylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[3-[(2-cyanophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]propylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[3-[(2-cyanophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]propylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C27H29F3N4O4S2 MolecularWeight: 594.66877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1C#N)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C27H29F3N4O4S2/c1-18(2)14-21(33-26(36)23-15-19-8-3-5-10-22(19)39-23)25(35)32-12-7-13-34(17-27(28,29)30)40(37,38)24-11-6-4-9-20(24)16-31/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3,(H,32,35)(H,33,36)/t21-/m0/s1