(2,6-dimethylphenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2,6-dimethylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,6-dimethylphenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2,6-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16-8-7-9-17(2)20(16)26-21(23)18-10-12-19(13-11-18)27(24,25)22-14-5-3-4-6-15-22/h7-13H,3-6,14-15H2,1-2H3