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

Systemtic Name: 5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxamide Traditional Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxamide Formula: C17H18BrN5O4S3 MolecularWeight: 532.45492

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN5O4S3/c1-10-11(8-19)17(29-15(10)16(20)25)21-13(24)9-22-4-6-23(7-5-22)30(26,27)14-3-2-12(18)28-14/h2-3H,4-7,9H2,1H3,(H2,20,25)(H,21,24)