tert-butyl 2-azanyl-4-[3-(quinolin-8-ylsulfonylamino)propyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-azanyl-4-[3-(quinolin-8-ylsulfonylamino)propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-amino-4-[3-(8-quinolylsulfonylamino)propyl]imidazole-1-carboxylate CAS Name: 2-amino-4-[3-(8-quinolinylsulfonylamino)propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-(quinolin-8-ylsulfonylamino)propyl]imidazole-1-carboxylate Traditional Name: 2-amino-4-[3-(8-quinolylsulfonylamino)propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1N)CCCNS(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C20H25N5O4S/c1-20(2,3)29-19(26)25-13-15(24-18(25)21)9-6-12-23-30(27,28)16-10-4-7-14-8-5-11-22-17(14)16/h4-5,7-8,10-11,13,23H,6,9,12H2,1-3H3,(H2,21,24)