N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(3-methoxy-4-propan-2-yloxy-phenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(4-isopropoxy-3-methoxy-phenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(4-isopropoxy-3-methoxy-benzyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=C(C=C2)OC(C)C)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC(=C(C=C2)OC(C)C)OC)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O7S/c1-14(2)31-19-9-7-16(10-20(19)30-4)12-22-21(25)13-23(32(5,28)29)18-11-17(24(26)27)8-6-15(18)3/h6-11,14H,12-13H2,1-5H3,(H,22,25)