N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)CNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)OC

InChI

InChI=1S/C20H25N3O7S/c1-14(2)30-18-9-8-15(10-19(18)29-3)12-21-20(24)13-22(31(4,27)28)16-6-5-7-17(11-16)23(25)26/h5-11,14H,12-13H2,1-4H3,(H,21,24)