3,4-diethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H25N3O7S/c1-4-29-18-9-6-14(12-19(18)30-5-2)20(24)22-11-10-21-16-8-7-15(31(3,27)28)13-17(16)23(25)26/h6-9,12-13,21H,4-5,10-11H2,1-3H3,(H,22,24)