methyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C13H19N3O5S2 MolecularWeight: 361.43706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O5S2/c1-21-13(18)10-3-8-22-12(10)14-11(17)9-15-4-6-16(7-5-15)23(2,19)20/h3,8H,4-7,9H2,1-2H3,(H,14,17)