[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-iodanylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-iodanylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-iodophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-iodophenyl)methanone Formula: C17H24IN3O3S MolecularWeight: 477.36023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3I

InChI

InChI=1S/C17H24IN3O3S/c18-16-8-4-3-7-15(16)17(22)19-11-13-21(14-12-19)25(23,24)20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-14H2