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

Systemtic Name: (3-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: m-tolyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid m-tolyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-16-7-6-8-18(15-16)25-20(22)17-9-11-19(12-10-17)26(23,24)21-13-4-2-3-5-14-21/h6-12,15H,2-5,13-14H2,1H3