1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 4-sulfamoylbenzoic acid

Systemtic Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 4-sulfamoylbenzoic acid Openeye Name: 1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-amine; 4-sulfamoylbenzoic acid CAS Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 4-sulfamoylbenzoic acid IUPAC Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 4-sulfamoylbenzoic acid Traditional Name: [1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]amine; 4-sulfamoylbenzoic acid Formula: C28H52N4O4S MolecularWeight: 540.80188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N.C1=CC(=CC=C1C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N.C1=CC(=CC=C1C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C21H45N3.C7H7NO4S/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2;8-13(11,12)6-3-1-5(2-4-6)7(9)10/h19-20H,6-18,22H2,1-5H3;1-4H,(H,9,10)(H2,8,11,12)