2-[4-(azocan-1-ylsulfonyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(azocan-1-ylsulfonyl)phenyl]ethanoic acid Openeye Name: 2-[4-(azocan-1-ylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-(1-azocanylsulfonyl)phenyl]acetic acid IUPAC Name: 2-[4-(azocan-1-ylsulfonyl)phenyl]acetic acid Traditional Name: 2-[4-(azocan-1-ylsulfonyl)phenyl]acetic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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