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

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C25H28N3O5S2+ MolecularWeight: 514.63692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S2/c1-18-8-10-19(11-9-18)21-17-34-24(23(21)25(30)33-2)26-22(29)16-27-12-14-28(15-13-27)35(31,32)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,26,29)/p+1