4-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 4-[(4-ethyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-ethylpiperazino)sulfonylbenzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-2-14-7-9-15(10-8-14)20(18,19)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)