N-(2-methoxyphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Traditional Name: 4-mesyl-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C14H21N3O4S MolecularWeight: 327.39924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O4S/c1-21-13-7-4-3-6-12(13)15-14(18)16-8-5-9-17(11-10-16)22(2,19)20/h3-4,6-7H,5,8-11H2,1-2H3,(H,15,18)