2-acetamidoethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-acetamidoethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-acetamidoethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-acetamidoethyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O5S/c1-14(20)18-9-12-24-17(21)15-7-6-8-16(13-15)25(22,23)19-10-4-2-3-5-11-19/h6-8,13H,2-5,9-12H2,1H3,(H,18,20)