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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-14-12-16(19-25-14)13-24-18(21)15-6-8-17(9-7-15)26(22,23)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11,13H2,1H3