4-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-coumaran-5-ylacryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H24N4O5S/c1-23-14-17(13-18(23)21(22)27)31(28,29)25-9-7-24(8-10-25)20(26)5-3-15-2-4-19-16(12-15)6-11-30-19/h2-5,12-14H,6-11H2,1H3,(H2,22,27)/b5-3+