2-methyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-methyl-5-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-methyl-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-methyl-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonyl-benzoic acid Formula: C17H20N2O6S3 MolecularWeight: 444.5455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C(=O)O

InChI

InChI=1S/C17H20N2O6S3/c1-12-3-5-14(11-15(12)17(20)21)27(22,23)18-7-9-19(10-8-18)28(24,25)16-6-4-13(2)26-16/h3-6,11H,7-10H2,1-2H3,(H,20,21)