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

Systemtic Name: 1-cyclopropyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-cyclopropyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid CAS Name: 1-cyclopropyl-4-[(3-oxo-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-cyclopropyl-4-(3-oxopiperazin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-cyclopropyl-4-(3-ketopiperazino)sulfonyl-pyrrole-2-carboxylic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C=C2C(=O)O)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

C1CC1N2C=C(C=C2C(=O)O)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C12H15N3O5S/c16-11-7-14(4-3-13-11)21(19,20)9-5-10(12(17)18)15(6-9)8-1-2-8/h5-6,8H,1-4,7H2,(H,13,16)(H,17,18)