4-chloranyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O5S/c1-12-16(13(2)27-20-12)11-21(14-6-4-3-5-7-14)28(25,26)15-8-9-17(19)18(10-15)22(23)24/h3-10H,11H2,1-2H3