4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24FN3O3S2/c23-17-9-11-18(12-10-17)31(28,29)26-14-4-13-25(15-16-26)22(27)8-3-7-21-24-19-5-1-2-6-20(19)30-21/h1-2,5-6,9-12H,3-4,7-8,13-16H2