7-fluoranyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-fluoranyl-4-(4-piperidin-1-ylsulfonylphenyl)carbonyl-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-fluoro-4-[4-(1-piperidylsulfonyl)benzoyl]-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-fluoro-4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-fluoro-4-(4-piperidin-1-ylsulfonylbenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-4-(4-piperidinosulfonylbenzoyl)-5-(2-thienyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C25H24FN3O4S2 MolecularWeight: 513.604163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=CS5)C=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC(=O)NC4=C(C3C5=CC=CS5)C=C(C=C4)F

InChI

InChI=1S/C25H24FN3O4S2/c26-18-8-11-21-20(15-18)24(22-5-4-14-34-22)29(16-23(30)27-21)25(31)17-6-9-19(10-7-17)35(32,33)28-12-2-1-3-13-28/h4-11,14-15,24H,1-3,12-13,16H2,(H,27,30)