1-(phenylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(phenylsulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-besyl-4-(2-thenyl)-1,4-diazepane Formula: C16H20N2O2S2 MolecularWeight: 336.4722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C16H20N2O2S2/c19-22(20,16-7-2-1-3-8-16)18-10-5-9-17(11-12-18)14-15-6-4-13-21-15/h1-4,6-8,13H,5,9-12,14H2