(E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-phenyl-acrylamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C=CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)/C=C/C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-27(25,26)15-8-9-16(17(13-15)21(23)24)19-11-12-20-18(22)10-7-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3,(H,20,22)/b10-7+