phenyl 2-[[(4-methylphenyl)sulfonylamino]-(3-nitrophenyl)methyl]prop-2-enoate

Systemtic Name: phenyl 2-[[(4-methylphenyl)sulfonylamino]-(3-nitrophenyl)methyl]prop-2-enoate Openeye Name: phenyl 2-[(3-nitrophenyl)-(p-tolylsulfonylamino)methyl]prop-2-enoate CAS Name: 2-[[(4-methylphenyl)sulfonylamino]-(3-nitrophenyl)methyl]-2-propenoic acid phenyl ester IUPAC Name: phenyl 2-[[(4-methylphenyl)sulfonylamino]-(3-nitrophenyl)methyl]prop-2-enoate Traditional Name: 2-[(3-nitrophenyl)-(tosylamino)methyl]acrylic acid phenyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)[N+](=O)[O-])C(=C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O6S/c1-16-11-13-21(14-12-16)32(29,30)24-22(18-7-6-8-19(15-18)25(27)28)17(2)23(26)31-20-9-4-3-5-10-20/h3-15,22,24H,2H2,1H3