ethyl 4-(azepan-1-ylsulfonyl)-3-bromanyl-benzoate

Systemtic Name: ethyl 4-(azepan-1-ylsulfonyl)-3-bromanyl-benzoate Openeye Name: ethyl 4-(azepan-1-ylsulfonyl)-3-bromo-benzoate CAS Name: 4-(1-azepanylsulfonyl)-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-ylsulfonyl)-3-bromobenzoate Traditional Name: 4-(azepan-1-ylsulfonyl)-3-bromo-benzoic acid ethyl ester Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCC2)Br

InChI

InChI=1S/C15H20BrNO4S/c1-2-21-15(18)12-7-8-14(13(16)11-12)22(19,20)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3