N-butan-2-yl-7-chloranyl-3-methylsulfonyl-6-nitro-quinoxalin-2-amine

Systemtic Name: N-butan-2-yl-7-chloranyl-3-methylsulfonyl-6-nitro-quinoxalin-2-amine Openeye Name: 7-chloro-3-methylsulfonyl-6-nitro-N-sec-butyl-quinoxalin-2-amine CAS Name: N-butan-2-yl-7-chloro-3-methylsulfonyl-6-nitro-2-quinoxalinamine IUPAC Name: N-butan-2-yl-7-chloro-3-methylsulfonyl-6-nitroquinoxalin-2-amine Traditional Name: (7-chloro-3-mesyl-6-nitro-quinoxalin-2-yl)-sec-butyl-amine Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN4O4S/c1-4-7(2)15-12-13(23(3,21)22)17-10-6-11(18(19)20)8(14)5-9(10)16-12/h5-7H,4H2,1-3H3,(H,15,16)