methyl 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(m-tolyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(m-tolyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H20N2O4S2/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)25(21,22)15-6-11-24-16(15)17(20)23-2/h3-6,11-12H,7-10H2,1-2H3