3-chloranyl-4-methyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Cl

InChI

InChI=1S/C19H16ClN3O4S2/c1-13-18(20)9-17(10-19(13)23(24)25)29(26,27)22-15-4-6-16(7-5-15)28-12-14-3-2-8-21-11-14/h2-11,22H,12H2,1H3