4-[[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(phenylsulfonylmethyl)furan-2-yl]carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(benzenesulfonylmethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(besylmethyl)-2-furoyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H25N3O4S/c26-17-20-7-9-21(10-8-20)18-27-12-4-13-28(15-14-27)25(29)24-22(11-16-32-24)19-33(30,31)23-5-2-1-3-6-23/h1-3,5-11,16H,4,12-15,18-19H2