(4-methylsulfonylphenyl)-[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(1,6-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[1,6-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(1,6-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=C3)C=NC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C22H22N4O4S/c1-31(29,30)18-6-3-16(4-7-18)21(27)25-11-2-12-26(14-13-25)22(28)20-8-5-17-15-23-10-9-19(17)24-20/h3-10,15H,2,11-14H2,1H3