3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonylbenzoic acid Formula: C16H18N2O6S3 MolecularWeight: 430.51892

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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(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S3/c1-12-5-6-15(25-12)27(23,24)18-9-7-17(8-10-18)26(21,22)14-4-2-3-13(11-14)16(19)20/h2-6,11H,7-10H2,1H3,(H,19,20)