1-[2,5-bis(bromanyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[2,5-bis(bromanyl)phenyl]sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,5-dibromophenyl)sulfonyl-4-(2-thienylmethyl)-1,4-diazepane CAS Name: 1-(2,5-dibromophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane IUPAC Name: 1-(2,5-dibromophenyl)sulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(2,5-dibromophenyl)sulfonyl-4-(2-thenyl)-1,4-diazepane Formula: C16H18Br2N2O2S2 MolecularWeight: 494.26432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Br2N2O2S2/c17-13-4-5-15(18)16(11-13)24(21,22)20-7-2-6-19(8-9-20)12-14-3-1-10-23-14/h1,3-5,10-11H,2,6-9,12H2