3-[(4-ethylpiperazin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(4-ethylpiperazin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 3-[(4-ethylpiperazin-1-yl)sulfonylmethyl]benzoic acid CAS Name: 3-[(4-ethyl-1-piperazinyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(4-ethylpiperazin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 3-[(4-ethylpiperazino)sulfonylmethyl]benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-2-15-6-8-16(9-7-15)21(19,20)11-12-4-3-5-13(10-12)14(17)18/h3-5,10H,2,6-9,11H2,1H3,(H,17,18)