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

Systemtic Name: methyl 5-[4-[2-(3,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(3,4-dichlorophenyl)acetyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C18H18Cl2N2O5S2 MolecularWeight: 477.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O5S2/c1-27-18(24)13-10-17(28-11-13)29(25,26)22-6-4-21(5-7-22)16(23)9-12-2-3-14(19)15(20)8-12/h2-3,8,10-11H,4-7,9H2,1H3