4-(azocan-1-ylsulfonyl)-3-bromanyl-benzoic acid

Systemtic Name: 4-(azocan-1-ylsulfonyl)-3-bromanyl-benzoic acid Openeye Name: 4-(azocan-1-ylsulfonyl)-3-bromo-benzoic acid CAS Name: 4-(1-azocanylsulfonyl)-3-bromobenzoic acid IUPAC Name: 4-(azocan-1-ylsulfonyl)-3-bromobenzoic acid Traditional Name: 4-(azocan-1-ylsulfonyl)-3-bromo-benzoic acid Formula: C14H18BrNO4S MolecularWeight: 376.26602

Click to see the large picture

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)