ethyl 7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[(4-butylphenyl)methyl-methylsulfonyl-amino]heptanoate CAS Name: 7-[(4-butylphenyl)methyl-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[(4-butylphenyl)methyl-methylsulfonylamino]heptanoate Traditional Name: 7-[(4-butylbenzyl)-mesyl-amino]enanthic acid ethyl ester Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C21H35NO4S/c1-4-6-11-19-13-15-20(16-14-19)18-22(27(3,24)25)17-10-8-7-9-12-21(23)26-5-2/h13-16H,4-12,17-18H2,1-3H3