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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5S/c24-21(27-15-20-22-18-10-3-4-11-19(18)28-20)16-8-7-9-17(14-16)29(25,26)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13,15H2