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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-tosylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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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(=O)N(C)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(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C23H30N4O6S2/c1-15-6-8-17(9-7-15)35(31,32)27-12-10-26(11-13-27)14-18(28)24-21-19(23(30)33-5)16(2)20(34-21)22(29)25(3)4/h6-9H,10-14H2,1-5H3,(H,24,28)