2,6-bis(azanyl)-2-(4-methylphenyl)-3-sulfonyl-hexanoic acid

Systemtic Name: 2,6-bis(azanyl)-2-(4-methylphenyl)-3-sulfonyl-hexanoic acid Openeye Name: 2,6-diamino-2-(p-tolyl)-3-sulfonyl-hexanoic acid CAS Name: 2,6-diamino-2-(4-methylphenyl)-3-sulfonylhexanoic acid IUPAC Name: 2,6-diamino-2-(4-methylphenyl)-3-sulfonylhexanoic acid Traditional Name: 2,6-diamino-2-(p-tolyl)-3-sulfonyl-hexanoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=S(=O)=O)CCCN)(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=S(=O)=O)CCCN)(C(=O)O)N

InChI

InChI=1S/C13H18N2O4S/c1-9-4-6-10(7-5-9)13(15,12(16)17)11(20(18)19)3-2-8-14/h4-7H,2-3,8,14-15H2,1H3,(H,16,17)