2-[[4-(4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 2-[[4-(4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 2-[[4-[4-(2-thienyl)phenyl]piperazin-1-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-[[4-(4-thiophen-2-ylphenyl)-1-piperazinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 2-[[4-(4-thiophen-2-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 2-[[4-[4-(2-thienyl)phenyl]piperazino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C21H26N2O5S2/c24-21(25)17-7-12-28-19(14-17)15-30(26,27)23-10-8-22(9-11-23)18-5-3-16(4-6-18)20-2-1-13-29-20/h1-6,13,17,19H,7-12,14-15H2,(H,24,25)