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

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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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(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O5S2/c1-14-5-7-17(8-6-14)31(27,28)24-11-9-23(10-12-24)13-18(25)22-20-19(21(26)29-4)15(2)16(3)30-20/h5-8H,9-13H2,1-4H3,(H,22,25)