[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [(1S)-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(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO5S/c1-17(21(24)18-10-5-4-6-11-18)28-22(25)19-12-9-13-20(16-19)29(26,27)23-14-7-2-3-8-15-23/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3/t17-/m0/s1