[(E)-3-[2-(3-methylphenyl)ethyl-(4-nitrophenyl)sulfonyl-amino]prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-[2-(3-methylphenyl)ethyl-(4-nitrophenyl)sulfonyl-amino]prop-2-enyl] ethanoate Openeye Name: [(E)-3-[2-(m-tolyl)ethyl-(4-nitrophenyl)sulfonyl-amino]allyl] acetate CAS Name: acetic acid [(E)-3-[2-(3-methylphenyl)ethyl-(4-nitrophenyl)sulfonylamino]prop-2-enyl] ester IUPAC Name: [(E)-3-[2-(3-methylphenyl)ethyl-(4-nitrophenyl)sulfonylamino]prop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-[2-(m-tolyl)ethyl-nosyl-amino]allyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN(C=CCOC(=O)C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-16-5-3-6-18(15-16)11-13-21(12-4-14-28-17(2)23)29(26,27)20-9-7-19(8-10-20)22(24)25/h3-10,12,15H,11,13-14H2,1-2H3/b12-4+