[(E)-3-[(4-nitrophenyl)sulfonyl-(1-phenylpropan-2-yl)amino]prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-[(4-nitrophenyl)sulfonyl-(1-phenylpropan-2-yl)amino]prop-2-enyl] ethanoate Openeye Name: [(E)-3-[(1-methyl-2-phenyl-ethyl)-(4-nitrophenyl)sulfonyl-amino]allyl] acetate CAS Name: acetic acid [(E)-3-[(4-nitrophenyl)sulfonyl-(1-phenylpropan-2-yl)amino]prop-2-enyl] ester IUPAC Name: [(E)-3-[(4-nitrophenyl)sulfonyl-(1-phenylpropan-2-yl)amino]prop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-[(1-methyl-2-phenyl-ethyl)-nosyl-amino]allyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-16(15-18-7-4-3-5-8-18)21(13-6-14-28-17(2)23)29(26,27)20-11-9-19(10-12-20)22(24)25/h3-13,16H,14-15H2,1-2H3/b13-6+