(3,4-dimethylphenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3,4-dimethylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,4-dimethylphenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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