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

Systemtic Name: methyl 3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H19N3O5S3 MolecularWeight: 429.53416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H19N3O5S3/c1-24-16(21)15-12(4-10-26-15)17-13(20)11-18-5-7-19(8-6-18)27(22,23)14-3-2-9-25-14/h2-4,9-10H,5-8,11H2,1H3,(H,17,20)