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

Systemtic Name: methyl 5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H19BrN4O5S3 MolecularWeight: 547.46626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C(=O)OC

InChI

InChI=1S/C18H19BrN4O5S3/c1-11-12(9-20)17(30-16(11)18(25)28-2)21-14(24)10-22-5-7-23(8-6-22)31(26,27)15-4-3-13(19)29-15/h3-4H,5-8,10H2,1-2H3,(H,21,24)