methyl 5-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-mesylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H21N3O5S2 MolecularWeight: 375.46364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C14H21N3O5S2/c1-10-8-11(14(19)22-2)13(23-10)15-12(18)9-16-4-6-17(7-5-16)24(3,20)21/h8H,4-7,9H2,1-3H3,(H,15,18)