N-(2-methoxy-5-nitro-phenyl)-3-(phenylsulfonyl)propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-besyl-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O6S/c1-24-15-8-7-12(18(20)21)11-14(15)17-16(19)9-10-25(22,23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,19)