3,4-dimethyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonyl-benzoic acid Formula: C18H22N2O6S3 MolecularWeight: 458.57208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C18H22N2O6S3/c1-12-10-15(18(21)22)11-16(14(12)3)28(23,24)19-6-8-20(9-7-19)29(25,26)17-5-4-13(2)27-17/h4-5,10-11H,6-9H2,1-3H3,(H,21,22)