N-(4-fluorophenyl)-2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-(4-styrylsulfonyl-1,4-diazepan-1-yl)acetamide CAS Name: N-(4-fluorophenyl)-2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-(4-styrylsulfonyl-1,4-diazepan-1-yl)acetamide Formula: C21H24FN3O3S MolecularWeight: 417.496963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S/c22-19-7-9-20(10-8-19)23-21(26)17-24-12-4-13-25(15-14-24)29(27,28)16-11-18-5-2-1-3-6-18/h1-3,5-11,16H,4,12-15,17H2,(H,23,26)