2-(3-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(3-methylphenoxy)acetamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-13-4-3-5-14(10-13)27-12-18(22)20-9-8-19-16-7-6-15(28(2,25)26)11-17(16)21(23)24/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,20,22)