2-chloranyl-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzenesulfonamide Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O5S/c1-2-13-3-5-14(6-4-13)21-23-18-11-15(7-10-19(18)30-21)24-31(28,29)20-12-16(25(26)27)8-9-17(20)22/h3-12,24H,2H2,1H3