3-(4-methylphenyl)sulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3-tosyl-propionamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O6S/c1-12-2-5-15(6-3-12)26(24,25)9-8-17(21)18-11-13-10-14(19(22)23)4-7-16(13)20/h2-7,10,20H,8-9,11H2,1H3,(H,18,21)