2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-fluorobenzyl)-3-methyl-butyramide Formula: C21H25FN2O5S MolecularWeight: 436.497003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)F)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25FN2O5S/c1-14(2)20(21(25)23-13-15-4-6-16(22)7-5-15)24-30(26,27)17-8-9-18-19(12-17)29-11-3-10-28-18/h4-9,12,14,20,24H,3,10-11,13H2,1-2H3,(H,23,25)