5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylate IUPAC Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-(3-chlorophenyl)piperazino]sulfonyl-3-methyl-coumarilate Formula: C20H18ClN2O5S- MolecularWeight: 433.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H19ClN2O5S/c1-13-17-12-16(5-6-18(17)28-19(13)20(24)25)29(26,27)23-9-7-22(8-10-23)15-4-2-3-14(21)11-15/h2-6,11-12H,7-10H2,1H3,(H,24,25)/p-1