1-(bromomethyl)-4-phenylsulfanyl-benzene; 4-methyl-N-nitro-benzenesulfonamide

Systemtic Name: 1-(bromomethyl)-4-phenylsulfanyl-benzene; 4-methyl-N-nitro-benzenesulfonamide Openeye Name: 1-(bromomethyl)-4-phenylsulfanyl-benzene; 4-methyl-N-nitro-benzenesulfonamide CAS Name: 1-(bromomethyl)-4-(phenylthio)benzene; 4-methyl-N-nitrobenzenesulfonamide IUPAC Name: 1-(bromomethyl)-4-phenylsulfanylbenzene; 4-methyl-N-nitrobenzenesulfonamide Traditional Name: 1-(bromomethyl)-4-(phenylthio)benzene; 4-methyl-N-nitro-benzenesulfonamide Formula: C20H19BrN2O4S2 MolecularWeight: 495.40986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N[N+](=O)[O-].C1=CC=C(C=C1)SC2=CC=C(C=C2)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[N+](=O)[O-].C1=CC=C(C=C1)SC2=CC=C(C=C2)CBr

InChI

InChI=1S/C13H11BrS.C7H8N2O4S/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)14(12,13)8-9(10)11/h1-9H,10H2;2-5,8H,1H3