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

Systemtic Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[1-butyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[1-butyl-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(1-butyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C27H26N4O4S2 MolecularWeight: 534.64974

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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)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3