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

Systemtic Name: ethyl 2-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26BrN3O5S3 MolecularWeight: 564.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C20H26BrN3O5S3/c1-4-14-13(3)30-19(18(14)20(26)29-5-2)22-16(25)12-23-8-10-24(11-9-23)32(27,28)17-7-6-15(21)31-17/h6-7H,4-5,8-12H2,1-3H3,(H,22,25)