N-butan-2-yl-7-methylsulfonyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-amine

Systemtic Name: N-butan-2-yl-7-methylsulfonyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-amine Openeye Name: 7-methylsulfonyl-1,1-dioxo-N-sec-butyl-4H-1$l^{6},2,4-benzothiadiazin-3-amine CAS Name: N-butan-2-yl-7-methylsulfonyl-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-amine IUPAC Name: N-butan-2-yl-7-methylsulfonyl-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-amine Traditional Name: (1,1-diketo-7-mesyl-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-sec-butyl-amine Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C)NC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C12H17N3O4S2/c1-4-8(2)13-12-14-10-6-5-9(20(3,16)17)7-11(10)21(18,19)15-12/h5-8H,4H2,1-3H3,(H2,13,14,15)