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

Systemtic Name: methyl 5-[4-[2-(4-chloranyl-2-methyl-phenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-chloro-2-methylphenoxy)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC

InChI

InChI=1S/C20H23ClN2O6S2/c1-13-10-16(21)4-5-17(13)29-14(2)19(24)22-6-8-23(9-7-22)31(26,27)18-11-15(12-30-18)20(25)28-3/h4-5,10-12,14H,6-9H2,1-3H3