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

Systemtic Name: (2-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: o-tolylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-methylbenzyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25NO4S/c1-17-8-4-5-9-19(17)16-26-21(23)18-10-12-20(13-11-18)27(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-16H2,1H3