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

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C28H26N4O3S MolecularWeight: 498.59604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c1-3-4-18-32-26-24(29-22-12-8-9-13-23(22)30-26)25(36(34,35)21-16-14-19(2)15-17-21)27(32)31-28(33)20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3,(H,31,33)