2-acetamidoethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-acetamidoethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-acetamidoethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

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