5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[4-(4-ethoxyphenoxy)-1-oxobutyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[4-(4-ethoxyphenoxy)butanoyl]piperazino]sulfonyl-3-thenoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C21H26N2O7S2/c1-2-29-17-5-7-18(8-6-17)30-13-3-4-19(24)22-9-11-23(12-10-22)32(27,28)20-14-16(15-31-20)21(25)26/h5-8,14-15H,2-4,9-13H2,1H3,(H,25,26)