4-[4-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C20H23FN4O5S MolecularWeight: 450.483823

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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=CC(=C(C=C3)OC)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H23FN4O5S/c1-23-13-15(12-17(23)20(22)27)31(28,29)25-9-7-24(8-10-25)19(26)6-4-14-3-5-18(30-2)16(21)11-14/h3-6,11-13H,7-10H2,1-2H3,(H2,22,27)/b6-4+