N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C19H14ClN7O4S MolecularWeight: 471.87696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C19H14ClN7O4S/c20-13-6-5-11(9-16(13)27(28)29)32(30,31)23-7-8-26-18(22)12(10-21)17-19(26)25-15-4-2-1-3-14(15)24-17/h1-6,9,23H,7-8,22H2