tert-butyl N-[3-[1-(phenylsulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate

Systemtic Name: tert-butyl N-[3-[1-(phenylsulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[1-(benzenesulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate CAS Name: N-[3-[1-(benzenesulfonyl)-4-imidazolyl]prop-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[1-(benzenesulfonyl)imidazol-4-yl]prop-2-ynyl]carbamate Traditional Name: N-[3-(1-besylimidazol-4-yl)prop-2-ynyl]carbamic acid tert-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CN(C=N1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(21)18-11-7-8-14-12-20(13-19-14)25(22,23)15-9-5-4-6-10-15/h4-6,9-10,12-13H,11H2,1-3H3,(H,18,21)