2-chloranyl-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-5-nitro-benzenesulfonamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H18ClN3O5S/c1-12-8-14(3)21-19(9-12)24-22(31-21)15-5-4-13(2)18(10-15)25-32(29,30)20-11-16(26(27)28)6-7-17(20)23/h4-11,25H,1-3H3