2-(3-bromanylphenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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