methyl 3-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H18ClN3O5S3 MolecularWeight: 463.97922

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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=C(S3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H18ClN3O5S3/c1-25-16(22)15-11(4-9-26-15)18-13(21)10-19-5-7-20(8-6-19)28(23,24)14-3-2-12(17)27-14/h2-4,9H,5-8,10H2,1H3,(H,18,21)