methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25ClN3O5S2+ MolecularWeight: 487.0126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O5S2/c1-13-14(2)30-19(18(13)20(26)29-3)22-17(25)12-23-8-10-24(11-9-23)31(27,28)16-6-4-15(21)5-7-16/h4-7H,8-12H2,1-3H3,(H,22,25)/p+1