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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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