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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-benzyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[1-benzyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-benzyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C31H24N4O3S MolecularWeight: 532.61226

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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)CC5=CC=CC=C5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CC=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O3S/c1-21-16-18-24(19-17-21)39(37,38)28-27-29(33-26-15-9-8-14-25(26)32-27)35(20-22-10-4-2-5-11-22)30(28)34-31(36)23-12-6-3-7-13-23/h2-19H,20H2,1H3,(H,34,36)