4-chloranyl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Openeye Name: N-(2-allylsulfanylphenyl)-4-chloro-3-nitro-benzenesulfonamide CAS Name: 4-chloro-3-nitro-N-[2-(prop-2-enylthio)phenyl]benzenesulfonamide IUPAC Name: 4-chloro-3-nitro-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide Traditional Name: N-[2-(allylthio)phenyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C15H13ClN2O4S2 MolecularWeight: 384.85772

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O4S2/c1-2-9-23-15-6-4-3-5-13(15)17-24(21,22)11-7-8-12(16)14(10-11)18(19)20/h2-8,10,17H,1,9H2