N-[(2S)-1-[4-[(2-bromanyl-4-fluoranyl-phenyl)sulfonylamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-[(2-bromanyl-4-fluoranyl-phenyl)sulfonylamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-[(2-bromo-4-fluoro-phenyl)sulfonylamino]butylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]butylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-1-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]butylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[4-[(2-bromo-4-fluoro-phenyl)sulfonylamino]butylcarbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C25H29BrFN3O4S2 MolecularWeight: 598.547863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCNS(=O)(=O)C1=C(C=C(C=C1)F)Br)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCCNS(=O)(=O)C1=C(C=C(C=C1)F)Br)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C25H29BrFN3O4S2/c1-16(2)13-20(30-25(32)22-14-17-7-3-4-8-21(17)35-22)24(31)28-11-5-6-12-29-36(33,34)23-10-9-18(27)15-19(23)26/h3-4,7-10,14-16,20,29H,5-6,11-13H2,1-2H3,(H,28,31)(H,30,32)/t20-/m0/s1