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

Systemtic Name: 4-(azocan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-(azocan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(1-azocanylsulfonyl)-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-(azocan-1-ylsulfonyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(azocan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate Formula: C13H19N2O4S- MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCCCC2

Isomeric SMILES

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCCCC2

InChI

InChI=1S/C13H20N2O4S/c1-14-10-11(9-12(14)13(16)17)20(18,19)15-7-5-3-2-4-6-8-15/h9-10H,2-8H2,1H3,(H,16,17)/p-1