3-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(4-esylpiperazino)sulfonyl-4-methyl-benzoic acid Formula: C14H20N2O6S2 MolecularWeight: 376.4484

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H20N2O6S2/c1-3-23(19,20)15-6-8-16(9-7-15)24(21,22)13-10-12(14(17)18)5-4-11(13)2/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)