furan-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: furan-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 3-furyl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 3-furanyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: furan-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 3-furyl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=COC=C3

InChI

InChI=1S/C17H20N2O4S/c1-14-3-5-16(6-4-14)24(21,22)19-9-2-8-18(10-11-19)17(20)15-7-12-23-13-15/h3-7,12-13H,2,8-11H2,1H3