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

Systemtic Name: methyl 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C17H19ClN2O4S2 MolecularWeight: 414.92676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C17H19ClN2O4S2/c1-12-3-4-13(18)11-14(12)19-6-8-20(9-7-19)26(22,23)15-5-10-25-16(15)17(21)24-2/h3-5,10-11H,6-9H2,1-2H3