tert-butyl N-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]carbamate

Systemtic Name: tert-butyl N-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]carbamate Openeye Name: tert-butyl N-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]carbamate CAS Name: N-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamate Traditional Name: N-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]carbamic acid tert-butyl ester Formula: C16H22BrN3O5S MolecularWeight: 448.33198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)Br

InChI

InChI=1S/C16H22BrN3O5S/c1-16(2,3)25-15(22)19-18-14(21)12-10-11(6-7-13(12)17)26(23,24)20-8-4-5-9-20/h6-7,10H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)