2,6-bis(azanyl)hexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide Openeye Name: 2,6-diaminohexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide CAS Name: 2,6-diaminohexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide IUPAC Name: 2,6-diaminohexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide Traditional Name: 2,6-diaminohexanoic acid; N-[2-(4-methoxyphenoxy)-4-nitro-phenyl]methanesulfonamide Formula: C20H28N4O8S MolecularWeight: 484.52332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C.C(CCN)CC(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C14H14N2O6S.C6H14N2O2/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20;7-4-2-1-3-5(8)6(9)10/h3-9,15H,1-2H3;5H,1-4,7-8H2,(H,9,10)