3-[(4-azanyl-3-methyl-phenyl)-dodecyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-azanyl-3-methyl-phenyl)-dodecyl-amino]propane-1-sulfonic acid Openeye Name: 3-(4-amino-N-dodecyl-3-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(4-amino-N-dodecyl-3-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(4-amino-N-dodecyl-3-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(4-amino-N-lauryl-3-methyl-anilino)propane-1-sulfonic acid Formula: C22H40N2O3S MolecularWeight: 412.6296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N)C

Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N)C

InChI

InChI=1S/C22H40N2O3S/c1-3-4-5-6-7-8-9-10-11-12-16-24(17-13-18-28(25,26)27)21-14-15-22(23)20(2)19-21/h14-15,19H,3-13,16-18,23H2,1-2H3,(H,25,26,27)