1-azanylpropan-2-ol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid

Systemtic Name: 1-azanylpropan-2-ol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Openeye Name: 1-aminopropan-2-ol; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid CAS Name: 1-amino-2-propanol; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid IUPAC Name: 1-aminopropan-2-ol; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid Traditional Name: 1-aminopropan-2-ol; mesyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Formula: C16H21N3O9S2 MolecularWeight: 463.48264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CN)O.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.C3H9NO/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;1-3(5)2-4/h2-9H,1H3,(H,20,21,22);3,5H,2,4H2,1H3