N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3,5-dimethyl-benzamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-3,5-dimethylbenzamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O4S/c1-16-12-17(2)14-18(13-16)22(28)24-15-21(27)25-8-3-9-26(11-10-25)31(29,30)20-6-4-19(23)5-7-20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,24,28)