2-methoxy-4-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide

Systemtic Name: 2-methoxy-4-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide Openeye Name: 2-methoxy-4-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide CAS Name: 2-methoxy-4-nitro-N-[3-(phenylthio)propyl]benzenesulfonamide IUPAC Name: 2-methoxy-4-nitro-N-(3-phenylsulfanylpropyl)benzenesulfonamide Traditional Name: 2-methoxy-4-nitro-N-[3-(phenylthio)propyl]benzenesulfonamide Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCCSC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5S2/c1-23-15-12-13(18(19)20)8-9-16(15)25(21,22)17-10-5-11-24-14-6-3-2-4-7-14/h2-4,6-9,12,17H,5,10-11H2,1H3