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

Systemtic Name: ethyl 4-(azocan-1-ylsulfonyl)-3-bromanyl-benzoate Openeye Name: ethyl 4-(azocan-1-ylsulfonyl)-3-bromo-benzoate CAS Name: 4-(1-azocanylsulfonyl)-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-(azocan-1-ylsulfonyl)-3-bromobenzoate Traditional Name: 4-(azocan-1-ylsulfonyl)-3-bromo-benzoic acid ethyl ester Formula: C16H22BrNO4S MolecularWeight: 404.31918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCCC2)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCCCCC2)Br

InChI

InChI=1S/C16H22BrNO4S/c1-2-22-16(19)13-8-9-15(14(17)12-13)23(20,21)18-10-6-4-3-5-7-11-18/h8-9,12H,2-7,10-11H2,1H3