[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C25H31NO5S/c1-17-14-18(2)20(4)24(19(17)3)23(27)16-31-25(28)21-10-9-11-22(15-21)32(29,30)26-12-7-5-6-8-13-26/h9-11,14-15H,5-8,12-13,16H2,1-4H3