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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C32H26N4O3S MolecularWeight: 546.63884

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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)CCC5=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)CCC5=CC=CC=C5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O3S/c1-22-16-18-25(19-17-22)40(38,39)29-28-30(34-27-15-9-8-14-26(27)33-28)36(21-20-23-10-4-2-5-11-23)31(29)35-32(37)24-12-6-3-7-13-24/h2-19H,20-21H2,1H3,(H,35,37)