1,3-benzoxazol-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O6S/c1-28-19-11-10-16(31(26,27)24-12-6-2-3-7-13-24)14-17(19)22(25)29-15-21-23-18-8-4-5-9-20(18)30-21/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3