5-(azocan-1-ylsulfonyl)-2-chloranyl-benzoic acid

Systemtic Name: 5-(azocan-1-ylsulfonyl)-2-chloranyl-benzoic acid Openeye Name: 5-(azocan-1-ylsulfonyl)-2-chloro-benzoic acid CAS Name: 5-(1-azocanylsulfonyl)-2-chlorobenzoic acid IUPAC Name: 5-(azocan-1-ylsulfonyl)-2-chlorobenzoic acid Traditional Name: 5-(azocan-1-ylsulfonyl)-2-chloro-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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