methyl 3-[4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[2-(N-methylanilino)-2-oxo-ethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[2-(N-methylanilino)-2-oxoethyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-[2-keto-2-(N-methylanilino)ethyl]piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O5S2/c1-20(15-6-4-3-5-7-15)17(23)14-21-9-11-22(12-10-21)29(25,26)16-8-13-28-18(16)19(24)27-2/h3-8,13H,9-12,14H2,1-2H3