(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O5S/c1-14-18(15(2)26-20-14)13-25-19(22)16-7-9-17(10-8-16)27(23,24)21-11-5-3-4-6-12-21/h7-10H,3-6,11-13H2,1-2H3