2,6-bis(azanyl)hexanoic acid; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Openeye Name: 2,6-diaminohexanoic acid; methylsulfonyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid CAS Name: 2,6-diaminohexanoic acid; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid IUPAC Name: 2,6-diaminohexanoic acid; methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid Traditional Name: 2,6-diaminohexanoic acid; mesyl-(4-nitro-2-phenoxy-phenyl)sulfamic acid Formula: C19H26N4O10S2 MolecularWeight: 534.56054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8S2.C6H14N2O2/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;7-4-2-1-3-5(8)6(9)10/h2-9H,1H3,(H,20,21,22);5H,1-4,7-8H2,(H,9,10)