N,N-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(2-nitrophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(2-nitrobenzyl)thio]-1,3-benzoxazole-5-sulfonamide Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S2/c1-18(2)26(22,23)12-7-8-15-13(9-12)17-16(24-15)25-10-11-5-3-4-6-14(11)19(20)21/h3-9H,10H2,1-2H3