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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-besylpiperazino)acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C22H28N4O6S2/c1-15-18(22(29)32-4)20(33-19(15)21(28)24(2)3)23-17(27)14-25-10-12-26(13-11-25)34(30,31)16-8-6-5-7-9-16/h5-9H,10-14H2,1-4H3,(H,23,27)