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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-3-12(16)14-7-6-13-10-5-4-9(21(2,19)20)8-11(10)15(17)18/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,16)