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

Systemtic Name: 1-cyclopropyl-4-(4-methylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid Openeye Name: 1-cyclopropyl-4-(4-methylpiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic acid CAS Name: 1-cyclopropyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-cyclopropyl-4-(4-methylpiperazin-1-yl)sulfonylpyrrole-2-carboxylic acid Traditional Name: 1-cyclopropyl-4-(4-methylpiperazino)sulfonyl-pyrrole-2-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C3CC3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)O)C3CC3

InChI

InChI=1S/C13H19N3O4S/c1-14-4-6-15(7-5-14)21(19,20)11-8-12(13(17)18)16(9-11)10-2-3-10/h8-10H,2-7H2,1H3,(H,17,18)