[(E)-8-[(4-methylphenyl)sulfonylamino]oct-3-en-2-yl] benzoate

Systemtic Name: [(E)-8-[(4-methylphenyl)sulfonylamino]oct-3-en-2-yl] benzoate Openeye Name: [(E)-1-methyl-7-(p-tolylsulfonylamino)hept-2-enyl] benzoate CAS Name: benzoic acid [(E)-8-[(4-methylphenyl)sulfonylamino]oct-3-en-2-yl] ester IUPAC Name: [(E)-8-[(4-methylphenyl)sulfonylamino]oct-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-methyl-7-(tosylamino)hept-2-enyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC=CC(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-18-13-15-21(16-14-18)28(25,26)23-17-9-4-3-6-10-19(2)27-22(24)20-11-7-5-8-12-20/h5-8,10-16,19,23H,3-4,9,17H2,1-2H3/b10-6+