tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H25F3N4O4S2 MolecularWeight: 494.55141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

InChI

InChI=1S/C19H25F3N4O4S2/c1-18(2,3)30-17(27)25-8-5-9-26(11-10-25)32(28,29)16-7-6-14(31-16)13-12-15(19(20,21)22)24(4)23-13/h6-7,12H,5,8-11H2,1-4H3