N-[7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-pyridin-2-yl-thiophene-2-sulfonamide

Systemtic Name: N-[7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[7-(4-methylpiperazin-1-yl)-2,3-dihydrobenzofuran-5-yl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[7-(4-methyl-1-piperazinyl)-2,3-dihydrobenzofuran-5-yl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[7-(4-methylpiperazin-1-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-[7-(4-methylpiperazino)coumaran-5-yl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)NS(=O)(=O)C4=CC=C(S4)C5=CC=CC=N5)CCO3

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)NS(=O)(=O)C4=CC=C(S4)C5=CC=CC=N5)CCO3

InChI

InChI=1S/C22H24N4O3S2/c1-25-9-11-26(12-10-25)19-15-17(14-16-7-13-29-22(16)19)24-31(27,28)21-6-5-20(30-21)18-4-2-3-8-23-18/h2-6,8,14-15,24H,7,9-13H2,1H3