5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[4-(dimethylamino)-1-piperidyl]sulfonyl]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[4-(dimethylamino)-1-piperidinyl]sulfonyl]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[4-(dimethylamino)piperidino]sulfonyl-3-methyl-2-thenoic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCC(CC2)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCC(CC2)N(C)C)C(=O)O

InChI

InChI=1S/C13H20N2O4S2/c1-9-8-11(20-12(9)13(16)17)21(18,19)15-6-4-10(5-7-15)14(2)3/h8,10H,4-7H2,1-3H3,(H,16,17)