N-(4-chloranyl-2-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C17H14ClN3O6S2 MolecularWeight: 455.89256

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O6S2/c1-2-29(25,26)11-4-6-15-13(8-11)20-17(27-15)28-9-16(22)19-12-5-3-10(18)7-14(12)21(23)24/h3-8H,2,9H2,1H3,(H,19,22)