4-[(4-methylsulfonylphenyl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylbenzyl)-N-(2-naphthyl)-1,4-diazepane-1-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O3S/c1-31(29,30)23-11-7-19(8-12-23)18-26-13-4-14-27(16-15-26)24(28)25-22-10-9-20-5-2-3-6-21(20)17-22/h2-3,5-12,17H,4,13-16,18H2,1H3,(H,25,28)