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

Systemtic Name: 3,5-dimethyl-4-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 3,5-dimethyl-4-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-dimethyl-4-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-dimethyl-4-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dimethyl-4-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrrole-2-carboxylic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1S(=O)(=O)N2CCCOCC2)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1S(=O)(=O)N2CCCOCC2)C)C(=O)O

InChI

InChI=1S/C12H18N2O5S/c1-8-10(12(15)16)13-9(2)11(8)20(17,18)14-4-3-6-19-7-5-14/h13H,3-7H2,1-2H3,(H,15,16)