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

Systemtic Name: 3-(4-ethylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(4-ethylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(4-ethylphenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-3-15-4-6-16(7-5-15)8-11-20(24)22-13-12-21-18-10-9-17(29(2,27)28)14-19(18)23(25)26/h4-7,9-10,14,21H,3,8,11-13H2,1-2H3,(H,22,24)