[3-(2-phenylbutanoyl)-2,6-di(propan-2-yl)phenyl] sulfamate

Systemtic Name: [3-(2-phenylbutanoyl)-2,6-di(propan-2-yl)phenyl] sulfamate Openeye Name: [2,6-diisopropyl-3-(2-phenylbutanoyl)phenyl] sulfamate CAS Name: sulfamic acid [3-(1-oxo-2-phenylbutyl)-2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [3-(2-phenylbutanoyl)-2,6-di(propan-2-yl)phenyl] sulfamate Traditional Name: sulfamic acid [2,6-diisopropyl-3-(2-phenylbutanoyl)phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2)C(C)C)OS(=O)(=O)N)C(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2)C(C)C)OS(=O)(=O)N)C(C)C

InChI

InChI=1S/C22H29NO4S/c1-6-17(16-10-8-7-9-11-16)21(24)19-13-12-18(14(2)3)22(20(19)15(4)5)27-28(23,25)26/h7-15,17H,6H2,1-5H3,(H2,23,25,26)