(4-methylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-methylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: p-tolylmethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-17-9-11-18(12-10-17)16-26-21(23)19-7-6-8-20(15-19)27(24,25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14,16H2,1H3