methanamine; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid

Systemtic Name: methanamine; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Openeye Name: methanamine; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid CAS Name: methanamine; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid IUPAC Name: methanamine; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid Traditional Name: mesyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid; methylamine Formula: C14H17N3O8S2 MolecularWeight: 419.43008

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Descriptors Computed from Structure

Canonical SMILES:

CN.CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CN.CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O8S2.CH5N/c1-24(18,19)15(25(20,21)22)12-8-7-10(14(16)17)9-13(12)23-11-5-3-2-4-6-11;1-2/h2-9H,1H3,(H,20,21,22);2H2,1H3