3-(azocan-1-ylsulfonyl)benzoic acid

Systemtic Name: 3-(azocan-1-ylsulfonyl)benzoic acid Openeye Name: 3-(azocan-1-ylsulfonyl)benzoic acid CAS Name: 3-(1-azocanylsulfonyl)benzoic acid IUPAC Name: 3-(azocan-1-ylsulfonyl)benzoic acid Traditional Name: 3-(azocan-1-ylsulfonyl)benzoic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H19NO4S/c16-14(17)12-7-6-8-13(11-12)20(18,19)15-9-4-2-1-3-5-10-15/h6-8,11H,1-5,9-10H2,(H,16,17)