(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C18H23N3O6S/c1-13-19-20-17(27-13)12-26-18(22)15-11-14(7-8-16(15)25-2)28(23,24)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3