1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

InChI

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