3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanamide

Systemtic Name: 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanamide Openeye Name: 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanamide CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanamide IUPAC Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanamide Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionamide Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])NCCC(=O)N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])NCCC(=O)N)Cl

InChI

InChI=1S/C16H16ClN3O6S/c1-27(24,25)11-3-5-15(12(17)9-11)26-10-2-4-14(20(22)23)13(8-10)19-7-6-16(18)21/h2-5,8-9,19H,6-7H2,1H3,(H2,18,21)