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

Systemtic Name: methyl 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(3-bromophenyl)sulfonylpiperazino]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O5S/c1-13-10-15(26-17(13)18(22)25-2)12-20-6-8-21(9-7-20)27(23,24)16-5-3-4-14(19)11-16/h3-5,10-11H,6-9,12H2,1-2H3