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

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-pentyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzamide Openeye Name: N-[1-pentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-pentyl-2-pyrrolo[3,2-b]quinoxalinyl]benzamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl]benzamide Traditional Name: N-(1-amyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCN1C(=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/C29H28N4O3S/c1-3-4-10-19-33-27-25(30-23-13-8-9-14-24(23)31-27)26(37(35,36)22-17-15-20(2)16-18-22)28(33)32-29(34)21-11-6-5-7-12-21/h5-9,11-18H,3-4,10,19H2,1-2H3,(H,32,34)