methyl 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(4-chlorophenyl)sulfonylpiperazino]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H21ClN2O5S/c1-13-11-15(26-17(13)18(22)25-2)12-20-7-9-21(10-8-20)27(23,24)16-5-3-14(19)4-6-16/h3-6,11H,7-10,12H2,1-2H3