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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C26H29N3O6S2/c1-18-4-10-21(11-5-18)37(32,33)29-14-12-28(13-15-29)16-23(30)27-25-24(26(31)35-3)22(17-36-25)19-6-8-20(34-2)9-7-19/h4-11,17H,12-16H2,1-3H3,(H,27,30)