2-(3-bromanylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H24BrNO5S MolecularWeight: 482.38796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrNO5S/c22-18-8-6-9-19(16-18)27-13-14-28-21(24)17-7-5-10-20(15-17)29(25,26)23-11-3-1-2-4-12-23/h5-10,15-16H,1-4,11-14H2