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

Systemtic Name: 3-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: 3-methyl-5-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-2-benzofurancarboxylate IUPAC Name: 3-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-coumarilate Formula: C22H23N2O5S- MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-14-5-4-6-17(11-14)24-10-9-23(13-15(24)2)30(27,28)18-7-8-20-19(12-18)16(3)21(29-20)22(25)26/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,25,26)/p-1