[4-[dodecyl(propyl)amino]-2-methyl-phenyl]sulfamic acid

Systemtic Name: [4-[dodecyl(propyl)amino]-2-methyl-phenyl]sulfamic acid Openeye Name: [4-[dodecyl(propyl)amino]-2-methyl-phenyl]sulfamic acid CAS Name: [4-[dodecyl(propyl)amino]-2-methylphenyl]sulfamic acid IUPAC Name: [4-[dodecyl(propyl)amino]-2-methylphenyl]sulfamic acid Traditional Name: [4-[lauryl(propyl)amino]-2-methyl-phenyl]sulfamic acid Formula: C22H40N2O3S MolecularWeight: 412.6296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCC)C1=CC(=C(C=C1)NS(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCN(CCC)C1=CC(=C(C=C1)NS(=O)(=O)O)C

InChI

InChI=1S/C22H40N2O3S/c1-4-6-7-8-9-10-11-12-13-14-18-24(17-5-2)21-15-16-22(20(3)19-21)23-28(25,26)27/h15-16,19,23H,4-14,17-18H2,1-3H3,(H,25,26,27)