propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(4-mesylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C17H27N4O6S2+ MolecularWeight: 447.54948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C)C(=O)N

InChI

InChI=1S/C17H26N4O6S2/c1-10(2)27-17(24)13-11(3)14(15(18)23)28-16(13)19-12(22)9-20-5-7-21(8-6-20)29(4,25)26/h10H,5-9H2,1-4H3,(H2,18,23)(H,19,22)/p+1