2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl-diethylammonium IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-diethylazanium Traditional Name: 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl-diethyl-ammonium Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC[NH+](CC)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C22H25N5O2S/c1-3-26(4-2)14-15-27-21(23)20(30(28,29)16-10-6-5-7-11-16)19-22(27)25-18-13-9-8-12-17(18)24-19/h5-13H,3-4,14-15,23H2,1-2H3/p+1