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

Systemtic Name: ethyl (3R)-3-[3-azanylpropyl-(4-methylphenyl)sulfonyl-amino]octanoate Openeye Name: ethyl (3R)-3-[3-aminopropyl(p-tolylsulfonyl)amino]octanoate CAS Name: (3R)-3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]octanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]octanoate Traditional Name: (3R)-3-[3-aminopropyl(tosyl)amino]caprylic acid ethyl ester Formula: C20H34N2O4S MolecularWeight: 398.55996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4S/c1-4-6-7-9-18(16-20(23)26-5-2)22(15-8-14-21)27(24,25)19-12-10-17(3)11-13-19/h10-13,18H,4-9,14-16,21H2,1-3H3/t18-/m1/s1