5-(azocan-1-ylsulfonyl)thiophene-3-carboxylate

Systemtic Name: 5-(azocan-1-ylsulfonyl)thiophene-3-carboxylate Openeye Name: 5-(azocan-1-ylsulfonyl)thiophene-3-carboxylate CAS Name: 5-(1-azocanylsulfonyl)-3-thiophenecarboxylate IUPAC Name: 5-(azocan-1-ylsulfonyl)thiophene-3-carboxylate Traditional Name: 5-(azocan-1-ylsulfonyl)-3-thenoate Formula: C12H16NO4S2- MolecularWeight: 302.38974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)S(=O)(=O)C2=CC(=CS2)C(=O)[O-]

InChI

InChI=1S/C12H17NO4S2/c14-12(15)10-8-11(18-9-10)19(16,17)13-6-4-2-1-3-5-7-13/h8-9H,1-7H2,(H,14,15)/p-1