azepan-1-yl-[3-(phenylsulfonylmethyl)furan-2-yl]methanone

Systemtic Name: azepan-1-yl-[3-(phenylsulfonylmethyl)furan-2-yl]methanone Openeye Name: azepan-1-yl-[3-(benzenesulfonylmethyl)-2-furyl]methanone CAS Name: 1-azepanyl-[3-(benzenesulfonylmethyl)-2-furanyl]methanone IUPAC Name: azepan-1-yl-[3-(benzenesulfonylmethyl)furan-2-yl]methanone Traditional Name: azepan-1-yl-[3-(besylmethyl)-2-furyl]methanone Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C=CO2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO4S/c20-18(19-11-6-1-2-7-12-19)17-15(10-13-23-17)14-24(21,22)16-8-4-3-5-9-16/h3-5,8-10,13H,1-2,6-7,11-12,14H2