ethyl 4-(5-methylfuran-2-yl)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(5-methylfuran-2-yl)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H28N3O6S2+ MolecularWeight: 518.62562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O6S2/c1-3-32-24(29)22-19(20-10-9-17(2)33-20)16-34-23(22)25-21(28)15-26-11-13-27(14-12-26)35(30,31)18-7-5-4-6-8-18/h4-10,16H,3,11-15H2,1-2H3,(H,25,28)/p+1