methyl 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC)OC)OC

InChI

InChI=1S/C20H26N2O6S2/c1-14-11-16(26-2)17(27-3)12-15(14)13-21-6-8-22(9-7-21)30(24,25)18-5-10-29-19(18)20(23)28-4/h5,10-12H,6-9,13H2,1-4H3