5-[4-[4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[4-(3-methylbutoxy)phenyl]carbonylpiperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(4-isopentyloxybenzoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-[[4-(3-methylbutoxy)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[4-(3-methylbutoxy)benzoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(4-isoamoxybenzoyl)piperazino]sulfonyl-3-thenoic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-15(2)7-12-29-18-5-3-16(4-6-18)20(24)22-8-10-23(11-9-22)31(27,28)19-13-17(14-30-19)21(25)26/h3-6,13-15H,7-12H2,1-2H3,(H,25,26)