4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(1-azepanylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(azepan-1-ylsulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1S(=O)(=O)N2CCCCCC2)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1S(=O)(=O)N2CCCCCC2)C)C(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-9-11(13(16)17)14-10(2)12(9)20(18,19)15-7-5-3-4-6-8-15/h14H,3-8H2,1-2H3,(H,16,17)