3-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-(4-isopropylpiperazin-1-yl)sulfonyl-3-methyl-thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(4-propan-2-yl-1-piperazinyl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-(4-isopropylpiperazino)sulfonyl-3-methyl-2-thenoic acid Formula: C13H20N2O4S2 MolecularWeight: 332.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C(=O)O

InChI

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