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

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4-cyanobenzyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3O4S2/c1-25-18(22)17-16(6-11-26-17)27(23,24)21-9-7-20(8-10-21)13-15-4-2-14(12-19)3-5-15/h2-6,11H,7-10,13H2,1H3