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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-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]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N4O6S2+ MolecularWeight: 495.59228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O6S2/c1-3-31-21(28)17-14(2)18(19(22)27)32-20(17)23-16(26)13-24-9-11-25(12-10-24)33(29,30)15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H2,22,27)(H,23,26)/p+1