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

Systemtic Name: ethyl 4-[heptyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: ethyl 4-[heptyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[heptyl-(4-methylphenyl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[heptyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[heptyl(tosyl)amino]benzoic acid ethyl ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-4-6-7-8-9-18-24(29(26,27)22-16-10-19(3)11-17-22)21-14-12-20(13-15-21)23(25)28-5-2/h10-17H,4-9,18H2,1-3H3