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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-allyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-allyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-3-17-31-25-23(28-21-11-7-8-12-22(21)29-25)24(35(33,34)20-15-13-18(2)14-16-20)26(31)30-27(32)19-9-5-4-6-10-19/h3-16H,1,17H2,2H3,(H,30,32)