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

Systemtic Name: 4-(azocan-1-ylsulfonyl)-3-bromanyl-benzoate Openeye Name: 4-(azocan-1-ylsulfonyl)-3-bromo-benzoate CAS Name: 4-(1-azocanylsulfonyl)-3-bromobenzoate IUPAC Name: 4-(azocan-1-ylsulfonyl)-3-bromobenzoate Traditional Name: 4-(azocan-1-ylsulfonyl)-3-bromo-benzoate Formula: C14H17BrNO4S- MolecularWeight: 375.25808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C14H18BrNO4S/c15-12-10-11(14(17)18)6-7-13(12)21(19,20)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9H2,(H,17,18)/p-1