ethyl (3R)-3-[3-azanylpropyl-(4-methylphenyl)sulfonyl-amino]decanoate

Systemtic Name: ethyl (3R)-3-[3-azanylpropyl-(4-methylphenyl)sulfonyl-amino]decanoate Openeye Name: ethyl (3R)-3-[3-aminopropyl(p-tolylsulfonyl)amino]decanoate CAS Name: (3R)-3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]decanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]decanoate Traditional Name: (3R)-3-[3-aminopropyl(tosyl)amino]capric acid ethyl ester Formula: C22H38N2O4S MolecularWeight: 426.61312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)OCC)N(CCCN)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCC[C@H](CC(=O)OCC)N(CCCN)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C22H38N2O4S/c1-4-6-7-8-9-11-20(18-22(25)28-5-2)24(17-10-16-23)29(26,27)21-14-12-19(3)13-15-21/h12-15,20H,4-11,16-18,23H2,1-3H3/t20-/m1/s1