tert-butyl N-[2-[4-[[1-[2-bromanyl-5-(2-methoxyethanoylamino)phenyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate

Systemtic Name: tert-butyl N-[2-[4-[[1-[2-bromanyl-5-(2-methoxyethanoylamino)phenyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: tert-butyl N-[2-[4-[[1-[2-bromo-5-[(2-methoxyacetyl)amino]phenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[1-[2-bromo-5-[(2-methoxy-1-oxoethyl)amino]phenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[[1-[2-bromo-5-[(2-methoxyacetyl)amino]phenyl]-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[1-[2-bromo-5-[(2-methoxyacetyl)amino]phenyl]-3-butyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C33H37BrFN5O7S MolecularWeight: 746.643583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)F)C4=C(C=CC(=C4)NC(=O)COC)Br

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OC(C)(C)C)F)C4=C(C=CC(=C4)NC(=O)COC)Br

InChI

InChI=1S/C33H37BrFN5O7S/c1-6-7-12-29-37-40(27-18-23(15-16-25(27)34)36-30(41)20-46-5)32(43)39(29)19-22-14-13-21(17-26(22)35)24-10-8-9-11-28(24)48(44,45)38-31(42)47-33(2,3)4/h8-11,13-18H,6-7,12,19-20H2,1-5H3,(H,36,41)(H,38,42)