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

Systemtic Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-isopentyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(3-methylbutyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-(1-isoamyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-nitro-benzenesulfonamide Formula: C28H27N5O6S2 MolecularWeight: 593.67388

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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=C(C=C5)[N+](=O)[O-]

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=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O6S2/c1-18(2)16-17-32-27-25(29-23-6-4-5-7-24(23)30-27)26(40(36,37)21-12-8-19(3)9-13-21)28(32)31-41(38,39)22-14-10-20(11-15-22)33(34)35/h4-15,18,31H,16-17H2,1-3H3