5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(4-cyclohexylphenyl)sulfonylpiperazino]sulfonyl-3-thenoic acid Formula: C21H26N2O6S3 MolecularWeight: 498.63594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C21H26N2O6S3/c24-21(25)18-14-20(30-15-18)32(28,29)23-12-10-22(11-13-23)31(26,27)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h6-9,14-16H,1-5,10-13H2,(H,24,25)