N-[3-(3,4-dimethoxyphenyl)propyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C21H27N3O8S MolecularWeight: 481.51938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O8S/c1-30-18-10-8-16(24(26)27)13-17(18)23(33(4,28)29)14-21(25)22-11-5-6-15-7-9-19(31-2)20(12-15)32-3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,25)