N,N-dimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(2-methyl-3-nitrophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(2-methyl-3-nitro-benzyl)thio]-1,3-benzoxazole-5-sulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H17N3O5S2/c1-11-12(5-4-6-15(11)20(21)22)10-26-17-18-14-9-13(7-8-16(14)25-17)27(23,24)19(2)3/h4-9H,10H2,1-3H3