4-(azocan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(azocan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate Openeye Name: 4-(azocan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(1-azocanylsulfonyl)-1H-pyrrole-2-carboxylate IUPAC Name: 4-(azocan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(azocan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate Formula: C12H17N2O4S- MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c15-12(16)11-8-10(9-13-11)19(17,18)14-6-4-2-1-3-5-7-14/h8-9,13H,1-7H2,(H,15,16)/p-1