N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S2/c1-3-13(2)14-4-6-15(7-5-14)18-12-27-19(20-18)21-28(25,26)17-10-8-16(9-11-17)22(23)24/h4-13H,3H2,1-2H3,(H,20,21)