1-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone

Systemtic Name: 1-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(2-thienylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone CAS Name: 1-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Traditional Name: 1-[3-[[4-(2-thenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanone Formula: C18H22N2O3S2 MolecularWeight: 378.50888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O3S2/c1-15(21)16-5-2-7-18(13-16)25(22,23)20-9-4-8-19(10-11-20)14-17-6-3-12-24-17/h2-3,5-7,12-13H,4,8-11,14H2,1H3