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

Systemtic Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-hydroxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2-hydroxyphenyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C16H18N2O5S2/c1-23-16(20)15-14(6-11-24-15)25(21,22)18-9-7-17(8-10-18)12-4-2-3-5-13(12)19/h2-6,11,19H,7-10H2,1H3