[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonylamino)phenyl]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[4-(tosylamino)phenyl]ethyl] ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7S/c1-15-5-11-20(12-6-15)32(29,30)23-18-9-7-16(8-10-18)21(25)14-31-22(26)17-3-2-4-19(13-17)24(27)28/h2-13,23H,14H2,1H3