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

Systemtic Name: N-[1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[1-(3-butoxypropyl)-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[1-(3-butoxypropyl)-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1-(3-butoxypropyl)-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-nitro-benzenesulfonamide Formula: C30H31N5O7S2 MolecularWeight: 637.72644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCCOCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)C)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O7S2/c1-3-4-19-42-20-7-18-34-29-27(31-25-8-5-6-9-26(25)32-29)28(43(38,39)23-14-10-21(2)11-15-23)30(34)33-44(40,41)24-16-12-22(13-17-24)35(36)37/h5-6,8-17,33H,3-4,7,18-20H2,1-2H3