(4-methylsulfonylphenyl)-[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[4-(1,8-naphthyridin-2-ylcarbonyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[1,8-naphthyridin-2-yl(oxo)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(1,8-naphthyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=CC=N4)C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=NC4=C(C=CC=N4)C=C3

InChI

InChI=1S/C22H22N4O4S/c1-31(29,30)18-8-5-17(6-9-18)21(27)25-12-3-13-26(15-14-25)22(28)19-10-7-16-4-2-11-23-20(16)24-19/h2,4-11H,3,12-15H2,1H3