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

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-nitro-benzenesulfonamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S2/c1-2-3-12-27-15-10-8-14(9-11-15)16-13-28-19(20-16)21-29(25,26)18-7-5-4-6-17(18)22(23)24/h4-11,13H,2-3,12H2,1H3,(H,20,21)