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

Systemtic Name: ethyl 5-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H22ClN3O5S3 MolecularWeight: 492.03238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H22ClN3O5S3/c1-3-27-18(24)17-12(2)10-15(29-17)20-14(23)11-21-6-8-22(9-7-21)30(25,26)16-5-4-13(19)28-16/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,23)