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

Systemtic Name: 3-(azocan-1-ylsulfonyl)-4-methoxy-benzoic acid Openeye Name: 3-(azocan-1-ylsulfonyl)-4-methoxy-benzoic acid CAS Name: 3-(1-azocanylsulfonyl)-4-methoxybenzoic acid IUPAC Name: 3-(azocan-1-ylsulfonyl)-4-methoxybenzoic acid Traditional Name: 3-(azocan-1-ylsulfonyl)-4-methoxy-benzoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCCC2

InChI

InChI=1S/C15H21NO5S/c1-21-13-8-7-12(15(17)18)11-14(13)22(19,20)16-9-5-3-2-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3,(H,17,18)