4-[4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H20ClFN4O4S MolecularWeight: 454.902903

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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=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN4O4S/c1-23-12-13(11-17(23)19(22)27)30(28,29)25-9-7-24(8-10-25)18(26)6-5-14-15(20)3-2-4-16(14)21/h2-6,11-12H,7-10H2,1H3,(H2,22,27)/b6-5+