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

Systemtic Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[1-isopentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide IUPAC Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-(1-isoamyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzenesulfonamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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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)CCC(C)C)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC(C)C)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4S2/c1-19(2)17-18-32-27-25(29-23-11-7-8-12-24(23)30-27)26(37(33,34)21-15-13-20(3)14-16-21)28(32)31-38(35,36)22-9-5-4-6-10-22/h4-16,19,31H,17-18H2,1-3H3