3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-[(4-phenyl-1-piperazinyl)sulfonyl]-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-methyl-5-(4-phenylpiperazino)sulfonyl-coumarilic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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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)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H20N2O5S/c1-14-17-13-16(7-8-18(17)27-19(14)20(23)24)28(25,26)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,24)