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

Systemtic Name: 1-methyl-4-[4-[(E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(E)-1-oxo-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]prop-2-enyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[(E)-3-[4-(2-ketopyrrolidino)phenyl]acryloyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C23H27N5O5S MolecularWeight: 485.55598

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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)N4CCCC4=O

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C23H27N5O5S/c1-25-16-19(15-20(25)23(24)31)34(32,33)27-13-11-26(12-14-27)21(29)9-6-17-4-7-18(8-5-17)28-10-2-3-22(28)30/h4-9,15-16H,2-3,10-14H2,1H3,(H2,24,31)/b9-6+