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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-besyl-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5S/c1-12-7-8-13(18(20)21)11-15(12)17-16(19)9-10-24(22,23)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,17,19)