ethyl (E)-3-[(4-methylphenyl)sulfonylmethylamino]-2-(4-nitrophenyl)carbonyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-methylphenyl)sulfonylmethylamino]-2-(4-nitrophenyl)carbonyl-prop-2-enoate Openeye Name: ethyl (E)-2-(4-nitrobenzoyl)-3-(p-tolylsulfonylmethylamino)prop-2-enoate CAS Name: (E)-3-[(4-methylphenyl)sulfonylmethylamino]-2-[(4-nitrophenyl)-oxomethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-methylphenyl)sulfonylmethylamino]-2-(4-nitrobenzoyl)prop-2-enoate Traditional Name: (E)-2-(4-nitrobenzoyl)-3-(tosylmethylamino)acrylic acid ethyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/NCS(=O)(=O)C1=CC=C(C=C1)C)/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-3-29-20(24)18(19(23)15-6-8-16(9-7-15)22(25)26)12-21-13-30(27,28)17-10-4-14(2)5-11-17/h4-12,21H,3,13H2,1-2H3/b18-12+