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

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

Isomeric SMILES

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

InChI

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