(4-phenylmethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-benzyloxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-benzoxyphenyl) ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c28-26(32-24-14-12-23(13-15-24)31-20-21-8-4-3-5-9-21)22-10-16-25(17-11-22)33(29,30)27-18-6-1-2-7-19-27/h3-5,8-17H,1-2,6-7,18-20H2