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

Systemtic Name: 3-(azocan-1-ylsulfonyl)-4-chloranyl-benzoic acid Openeye Name: 3-(azocan-1-ylsulfonyl)-4-chloro-benzoic acid CAS Name: 3-(1-azocanylsulfonyl)-4-chlorobenzoic acid IUPAC Name: 3-(azocan-1-ylsulfonyl)-4-chlorobenzoic acid Traditional Name: 3-(azocan-1-ylsulfonyl)-4-chloro-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO4S/c15-12-7-6-11(14(17)18)10-13(12)21(19,20)16-8-4-2-1-3-5-9-16/h6-7,10H,1-5,8-9H2,(H,17,18)