4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(1-azepanylsulfonyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C11H16N2O4S/c14-11(15)10-7-9(8-12-10)18(16,17)13-5-3-1-2-4-6-13/h7-8,12H,1-6H2,(H,14,15)