phenacyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: phenacyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: phenacyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid phenacyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c23-20(17-8-4-3-5-9-17)16-27-21(24)18-10-12-19(13-11-18)28(25,26)22-14-6-1-2-7-15-22/h3-5,8-13H,1-2,6-7,14-16H2