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

Systemtic Name: 4-methoxy-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-methoxy-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonyl-benzoic acid Formula: C17H20N2O7S3 MolecularWeight: 460.5449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S3/c1-12-3-6-16(27-12)29(24,25)19-9-7-18(8-10-19)28(22,23)15-11-13(17(20)21)4-5-14(15)26-2/h3-6,11H,7-10H2,1-2H3,(H,20,21)