(1-oxidanylidene-1-phenyl-propan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO5S/c1-17(21(24)18-9-5-4-6-10-18)28-22(25)19-11-13-20(14-12-19)29(26,27)23-15-7-2-3-8-16-23/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3