4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1-propyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-1-propyl-pyrrole-2-carboxylic acid Openeye Name: 4-(3-oxopiperazin-1-yl)sulfonyl-1-propyl-pyrrole-2-carboxylic acid CAS Name: 4-[(3-oxo-1-piperazinyl)sulfonyl]-1-propyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(3-oxopiperazin-1-yl)sulfonyl-1-propylpyrrole-2-carboxylic acid Traditional Name: 4-(3-ketopiperazino)sulfonyl-1-propyl-pyrrole-2-carboxylic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCCN1C=C(C=C1C(=O)O)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C12H17N3O5S/c1-2-4-14-7-9(6-10(14)12(17)18)21(19,20)15-5-3-13-11(16)8-15/h6-7H,2-5,8H2,1H3,(H,13,16)(H,17,18)