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

Systemtic Name: (3-acetamidophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-acetamidophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-acetamidophenyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-16(24)22-18-7-6-8-19(15-18)28-21(25)17-9-11-20(12-10-17)29(26,27)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3,(H,22,24)