N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzamide Openeye Name: N-[1-allyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzamide Traditional Name: N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-nitro-benzamide Formula: C27H21N5O5S MolecularWeight: 527.55114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O5S/c1-3-16-31-25-23(28-21-6-4-5-7-22(21)29-25)24(38(36,37)20-14-8-17(2)9-15-20)26(31)30-27(33)18-10-12-19(13-11-18)32(34)35/h3-15H,1,16H2,2H3,(H,30,33)