6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione

Systemtic Name: 6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione Openeye Name: 6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine; 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine; 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: [4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine; 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone Formula: C22H27ClN6O7S MolecularWeight: 555.00378

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)Cl)NC(C)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC(=N1)Cl)NC(C)C.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S.C8H14ClN5/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17;1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5-7,13H,2-4H2,1H3;5H,4H2,1-3H3,(H2,10,11,12,13,14)