tert-butyl 4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-methyl-1-phenyl-4-pyrazolyl)sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-methyl-1-phenyl-pyrazol-4-yl)sulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N4O4S/c1-16-18(15-21-24(16)17-9-6-5-7-10-17)29(26,27)23-12-8-11-22(13-14-23)19(25)28-20(2,3)4/h5-7,9-10,15H,8,11-14H2,1-4H3