methyl 5-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-(4-isovalerylpiperazino)sulfonylthiophene-3-carboxylic acid methyl ester Formula: C15H22N2O5S2 MolecularWeight: 374.47558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CS2)C(=O)OC

InChI

InChI=1S/C15H22N2O5S2/c1-11(2)8-13(18)16-4-6-17(7-5-16)24(20,21)14-9-12(10-23-14)15(19)22-3/h9-11H,4-8H2,1-3H3