N-[3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenyl]-N-prop-2-enyl-ethanamide

Systemtic Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-4-nitro-phenyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[4-nitro-3-(p-tolylsulfonylmethyl)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenyl]-N-prop-2-enylacetamide IUPAC Name: N-[3-[(4-methylphenyl)sulfonylmethyl]-4-nitrophenyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[4-nitro-3-(tosylmethyl)phenyl]acetamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)N(CC=C)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)N(CC=C)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-4-11-20(15(3)22)17-7-10-19(21(23)24)16(12-17)13-27(25,26)18-8-5-14(2)6-9-18/h4-10,12H,1,11,13H2,2-3H3