1-propyl-4-thiomorpholin-4-ylsulfonyl-pyrrole-2-carboxylic acid

Systemtic Name: 1-propyl-4-thiomorpholin-4-ylsulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-propyl-4-thiomorpholinosulfonyl-pyrrole-2-carboxylic acid CAS Name: 1-propyl-4-thiomorpholin-4-ylsulfonyl-2-pyrrolecarboxylic acid IUPAC Name: 1-propyl-4-thiomorpholin-4-ylsulfonylpyrrole-2-carboxylic acid Traditional Name: 1-propyl-4-thiomorpholinosulfonyl-pyrrole-2-carboxylic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCSCC2

Isomeric SMILES

CCCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C12H18N2O4S2/c1-2-3-13-9-10(8-11(13)12(15)16)20(17,18)14-4-6-19-7-5-14/h8-9H,2-7H2,1H3,(H,15,16)