3-(3,4-dimethoxyphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O7S/c1-29-18-8-4-14(12-19(18)30-2)5-9-20(24)22-11-10-21-16-7-6-15(31(3,27)28)13-17(16)23(25)26/h4,6-8,12-13,21H,5,9-11H2,1-3H3,(H,22,24)