[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5S/c1-17-13-19(3)22(14-18(17)2)23(26)16-30-24(27)20-9-8-10-21(15-20)31(28,29)25-11-6-4-5-7-12-25/h8-10,13-15H,4-7,11-12,16H2,1-3H3