[(E)-1-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]oct-2-en-4-yl] ethanoate

Systemtic Name: [(E)-1-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]oct-2-en-4-yl] ethanoate Openeye Name: 1-[(E)-3-[benzyl(p-tolylsulfonyl)amino]prop-1-enyl]pentyl acetate CAS Name: acetic acid [(E)-1-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]oct-2-en-4-yl] ester IUPAC Name: [(E)-1-[benzyl-(4-methylphenyl)sulfonylamino]oct-2-en-4-yl] acetate Traditional Name: acetic acid [(E)-4-[benzyl(tosyl)amino]-1-butyl-but-2-enyl] ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C

Isomeric SMILES

CCCCC(/C=C/CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C

InChI

InChI=1S/C24H31NO4S/c1-4-5-12-23(29-21(3)26)13-9-18-25(19-22-10-7-6-8-11-22)30(27,28)24-16-14-20(2)15-17-24/h6-11,13-17,23H,4-5,12,18-19H2,1-3H3/b13-9+