4-(azocan-1-ylsulfonylmethyl)benzoic acid

Systemtic Name: 4-(azocan-1-ylsulfonylmethyl)benzoic acid Openeye Name: 4-(azocan-1-ylsulfonylmethyl)benzoic acid CAS Name: 4-(1-azocanylsulfonylmethyl)benzoic acid IUPAC Name: 4-(azocan-1-ylsulfonylmethyl)benzoic acid Traditional Name: 4-(azocan-1-ylsulfonylmethyl)benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c17-15(18)14-8-6-13(7-9-14)12-21(19,20)16-10-4-2-1-3-5-11-16/h6-9H,1-5,10-12H2,(H,17,18)