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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(1-azepanylsulfonyl)-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-(azepan-1-ylsulfonyl)-1-methylpyrrole-2-carboxylate Traditional Name: 4-(azepan-1-ylsulfonyl)-1-methyl-pyrrole-2-carboxylate Formula: C12H17N2O4S- MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C12H18N2O4S/c1-13-9-10(8-11(13)12(15)16)19(17,18)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3,(H,15,16)/p-1