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

Systemtic Name: tert-butyl N-[2-[4-[[1-[2-chloranyl-5-(cyclopropylcarbonylamino)phenyl]-5-oxidanylidene-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: tert-butyl N-[2-[4-[[1-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[1-[2-chloro-5-[[cyclopropyl(oxo)methyl]amino]phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[[1-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[1-[2-chloro-5-(cyclopropanecarbonylamino)phenyl]-5-keto-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C33H35ClFN5O6S MolecularWeight: 684.177303

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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)C5CC5)Cl

Isomeric SMILES

CCCC1=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)C5CC5)Cl

InChI

InChI=1S/C33H35ClFN5O6S/c1-5-8-29-37-40(27-18-23(15-16-25(27)34)36-30(41)20-11-12-20)32(43)39(29)19-22-14-13-21(17-26(22)35)24-9-6-7-10-28(24)47(44,45)38-31(42)46-33(2,3)4/h6-7,9-10,13-18,20H,5,8,11-12,19H2,1-4H3,(H,36,41)(H,38,42)