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

Systemtic Name: methyl 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O5S2+ MolecularWeight: 438.54096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C19H23N3O5S2/c1-14-3-5-15(6-4-14)29(25,26)22-10-8-21(9-11-22)13-17(23)20-18-16(7-12-28-18)19(24)27-2/h3-7,12H,8-11,13H2,1-2H3,(H,20,23)/p+1