[3-(butoxycarbonylamino)-2-(4-methylphenyl)sulfonyloxy-4-phenyl-butyl] ethanoate

Systemtic Name: [3-(butoxycarbonylamino)-2-(4-methylphenyl)sulfonyloxy-4-phenyl-butyl] ethanoate Openeye Name: [3-(butoxycarbonylamino)-4-phenyl-2-(p-tolylsulfonyloxy)butyl] acetate CAS Name: acetic acid [3-[[butoxy(oxo)methyl]amino]-2-(4-methylphenyl)sulfonyloxy-4-phenylbutyl] ester IUPAC Name: [3-(butoxycarbonylamino)-2-(4-methylphenyl)sulfonyloxy-4-phenylbutyl] acetate Traditional Name: acetic acid [3-(butoxycarbonylamino)-4-phenyl-2-tosyloxy-butyl] ester Formula: C24H31NO7S MolecularWeight: 477.57044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC=CC=C1)C(COC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC=CC=C1)C(COC(=O)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H31NO7S/c1-4-5-15-30-24(27)25-22(16-20-9-7-6-8-10-20)23(17-31-19(3)26)32-33(28,29)21-13-11-18(2)12-14-21/h6-14,22-23H,4-5,15-17H2,1-3H3,(H,25,27)