phenacyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: phenacyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: phenacyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid phenacyl ester Formula: C22H25NO6S MolecularWeight: 431.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO6S/c1-28-21-12-11-18(30(26,27)23-13-7-2-3-8-14-23)15-19(21)22(25)29-16-20(24)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3