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

Systemtic Name: 1-methyl-4-[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[(E)-3-(3-nitrophenyl)acryloyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C19H21N5O6S MolecularWeight: 447.46494

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O6S/c1-21-13-16(12-17(21)19(20)26)31(29,30)23-9-7-22(8-10-23)18(25)6-5-14-3-2-4-15(11-14)24(27)28/h2-6,11-13H,7-10H2,1H3,(H2,20,26)/b6-5+