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

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-2-chloranyl-benzamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-2-chloro-benzamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-2-chlorobenzamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-2-chlorobenzamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloro-benzamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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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=C5Cl

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H25ClN4O3S/c1-3-4-17-33-26-24(30-22-11-7-8-12-23(22)31-26)25(37(35,36)19-15-13-18(2)14-16-19)27(33)32-28(34)20-9-5-6-10-21(20)29/h5-16H,3-4,17H2,1-2H3,(H,32,34)