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

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H29N4O6S2+ MolecularWeight: 509.61886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H28N4O6S2/c1-14(2)32-22(29)18-15(3)19(20(23)28)33-21(18)24-17(27)13-25-9-11-26(12-10-25)34(30,31)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H2,23,28)(H,24,27)/p+1