prop-2-enyl 3-[butyl-(4-nitrophenyl)sulfonyl-amino]-4-phenyl-butanoate

Systemtic Name: prop-2-enyl 3-[butyl-(4-nitrophenyl)sulfonyl-amino]-4-phenyl-butanoate Openeye Name: allyl 3-[butyl-(4-nitrophenyl)sulfonyl-amino]-4-phenyl-butanoate CAS Name: 3-[butyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[butyl-(4-nitrophenyl)sulfonylamino]-4-phenylbutanoate Traditional Name: 3-[butyl(nosyl)amino]-4-phenyl-butyric acid allyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CC1=CC=CC=C1)CC(=O)OCC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C(CC1=CC=CC=C1)CC(=O)OCC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O6S/c1-3-5-15-24(32(29,30)22-13-11-20(12-14-22)25(27)28)21(18-23(26)31-16-4-2)17-19-9-7-6-8-10-19/h4,6-14,21H,2-3,5,15-18H2,1H3