N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(4-isobutylphenyl)thiazol-2-yl]-4-nitro-benzenesulfonamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-13(2)11-14-3-5-15(6-4-14)18-12-27-19(20-18)21-28(25,26)17-9-7-16(8-10-17)22(23)24/h3-10,12-13H,11H2,1-2H3,(H,20,21)