(2S)-2,6-bis(azanyl)hexanoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Openeye Name: (2S)-2,6-diaminohexanoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide CAS Name: (2S)-2,6-diaminohexanoic acid; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide IUPAC Name: (2S)-2,6-diaminohexanoic acid; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide Traditional Name: (2S)-2,6-diaminohexanoic acid; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Formula: C19H26N4O7S MolecularWeight: 454.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H12N2O5S.C6H14N2O2/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;7-4-2-1-3-5(8)6(9)10/h2-9,14H,1H3;5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1