ethyl 4-[(4-methylphenyl)sulfonyl-undecyl-amino]benzoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-undecyl-amino]benzoate Openeye Name: ethyl 4-[p-tolylsulfonyl(undecyl)amino]benzoate CAS Name: 4-[(4-methylphenyl)sulfonyl-undecylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-undecylamino]benzoate Traditional Name: 4-[tosyl(undecyl)amino]benzoic acid ethyl ester Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H39NO4S/c1-4-6-7-8-9-10-11-12-13-22-28(33(30,31)26-20-14-23(3)15-21-26)25-18-16-24(17-19-25)27(29)32-5-2/h14-21H,4-13,22H2,1-3H3