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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3,4-dipropoxy-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3,4-dipropoxy-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3,4-dipropoxybenzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3,4-dipropoxybenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3,4-dipropoxy-benzamide Formula: C22H29N3O7S MolecularWeight: 479.54656

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OCCC

InChI

InChI=1S/C22H29N3O7S/c1-4-12-31-20-9-6-16(14-21(20)32-13-5-2)22(26)24-11-10-23-18-8-7-17(33(3,29)30)15-19(18)25(27)28/h6-9,14-15,23H,4-5,10-13H2,1-3H3,(H,24,26)