3-(methylsulfanylmethyl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[(methylthio)methyl]benzamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O4S/c1-24-11-12-3-2-4-14(9-12)17(21)18-10-16(20)13-5-7-15(8-6-13)19(22)23/h2-9,16,20H,10-11H2,1H3,(H,18,21)