2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-ethoxy-5-(4-ethylpiperazino)sulfonyl-benzoic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5S/c1-3-16-7-9-17(10-8-16)23(20,21)12-5-6-14(22-4-2)13(11-12)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)