(4,5-dimethylfuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4,5-dimethylfuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4,5-dimethyl-2-furyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4,5-dimethyl-2-furanyl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4,5-dimethylfuran-2-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4,5-dimethyl-2-furyl)-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(OC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H26N2O4S/c1-15-13-19(26-16(15)2)20(23)22-10-4-9-21(11-12-22)14-17-5-7-18(8-6-17)27(3,24)25/h5-8,13H,4,9-12,14H2,1-3H3