1-methyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrrole-2-carboxylate

Systemtic Name: 1-methyl-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-pyrrole-2-carboxylate Openeye Name: 1-methyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[(3-oxo-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylate IUPAC Name: 1-methyl-4-(3-oxopiperazin-1-yl)sulfonylpyrrole-2-carboxylate Traditional Name: 4-(3-ketopiperazino)sulfonyl-1-methyl-pyrrole-2-carboxylate Formula: C10H12N3O5S- MolecularWeight: 286.28438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C10H13N3O5S/c1-12-5-7(4-8(12)10(15)16)19(17,18)13-3-2-11-9(14)6-13/h4-5H,2-3,6H2,1H3,(H,11,14)(H,15,16)/p-1