(2,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2,5-dimethylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27NO4S/c1-17-10-11-18(2)20(14-17)16-27-22(24)19-8-7-9-21(15-19)28(25,26)23-12-5-3-4-6-13-23/h7-11,14-15H,3-6,12-13,16H2,1-2H3